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cis-m-Cyanophenol
C
C,1,R1
C,2,R2,1,A1
C,3,R3,2,A2,1,D1,0
C,4,R4,3,A3,2,D2,0
C,1,R5,2,A4,3,D3,0
C,1,R6,2,A5,3,D4,0
N,7,R7,2,A6,1,D5,0
H,2,R8,1,A7,6,D6,0
O,3,R9,2,A9,1,D8,0
H,10,R10,3,A8,1,D7,0
H,4,R11,3,A10,2,D9,0
H,5,R12,4,A11,3,D10,0
H,6,R13,1,A12,2,D11,0
Variables:
R1=1.39786186
R2=1.39031469
R3=1.39506188
R4=1.38685604
R5=1.39656573
R6=1.42897668
R7=1.15815889
R8=1.08548455
R9=1.35531026
R10=0.96264579
R11=1.08373701
R12=1.08434493
R13=1.08265759
A1=119.47120939
A2=120.06423676
A3=119.88013616
A4=120.74186482
A5=119.31764684
A6=149.96979366
A7=119.78007719
A8=109.60325631
A9=122.59144934
A10=118.78631162
A11=119.39013145
A12=119.83599618
D1=0.
D2=0.
D3=0.
D4=180.
D5=180.
D6=180.
D7=0.
D8=180.
D9=180.
D10=180.
D11=180. |
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trans-m-Cyanophenol
C
C,1,R1
C,2,R2,1,A1
C,3,R3,2,A2,1,D1,0
C,4,R4,3,A3,2,D2,0
C,1,R5,2,A4,3,D3,0
C,1,R6,2,A5,3,D4,0
N,7,R7,2,A6,1,D5,0
H,2,R8,1,A7,6,D6,0
O,3,R9,2,A9,1,D8,0
H,10,R10,3,A8,1,D7,0
H,4,R11,3,A10,2,D9,0
H,5,R12,4,A11,3,D10,0
H,6,R13,1,A12,2,D11,0
Variables:
R1=1.39523445
R2=1.39100008
R3=1.39446905
R4=1.38911634
R5=1.39867305
R6=1.42974036
R7=1.15799653
R8=1.08278573
R9=1.35541588
R10=0.96246502
R11=1.08667135
R12=1.0843102
R13=1.08261633
A1=119.26840861
A2=120.07858867
A3=120.05086183
A4=120.98974113
A5=119.35140717
A6=150.29941685
A7=120.95029873
A8=109.48432044
A9=117.13466658
A10=119.72599266
A11=119.48312659
A12=119.92611
D1=0.
D2=0.
D3=0.
D4=180.
D5=180.
D6=180.
D7=180.
D8=180.
D9=180.
D10=180.
D11=180. |
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m_phenolCN_zm.html |
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Last modified: 27 April 2009 |
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