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pyridine-3,4-dicarbonitrile
pyridine-3,4-dicarbonitrile ID: AN-49584
CAS:1633-44-9
Supplier:AN PharmaTech Co Ltd

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SMILES:n1cc(c(cc1)C#N)C#N	74211
FORMULA: C7H3N3
MASS: 129.1188
EXACT MASS: 129.0326971
INTERATOMIC DISTANCES

              N   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    4.0000     0.0000 
   N   3    3.6055     3.0000     0.0000 
   C   4    2.0000     2.0000     2.6458     0.0000 
   C   5    1.7320     2.6458     2.0000     1.0001     0.0000 
   C   6    1.7321     2.6457     3.6056     1.0000     1.7321     0.0000 
   C   7    1.0000     3.6055     2.6457     1.7321     1.0000     2.0000 
   C   8    1.0000     3.6056     4.0000     1.7321     2.0000     1.0001 
   C   9    3.0000     1.0000     2.6458     1.0000     1.7321     1.7320 
   C  10    2.6457     2.6458     1.0000     1.7321     1.0000     2.6458 
   H  11    2.2901     2.6008     4.0601     1.4158     2.2901     0.6200 
   H  12    1.4158     4.0601     2.6008     2.2901     1.4157     2.6200 
   H  13    1.4158     4.0601     4.6200     2.2901     2.6200     1.4158 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    2.6458     2.6458     0.0000 
   C  10    1.7320     3.0000     2.0000     0.0000 
   H  11    2.6200     1.4158     1.8397     3.1408     0.0000 
   H  12    0.6200     2.2900     3.1408     1.8396     3.2400     0.0000 
   H  13    2.2901     0.6200     3.1408     3.6200     1.6200     2.8059 

              H  13
              -----------
   H  13    0.0000 



ATOMIC CHARGES
   N   1   -0.2619067099
   N   2   -0.1908288332
   N   3   -0.1907813241
   C   4    0.0719895937
   C   5    0.0871160501
   C   6   -0.0249467834
   C   7    0.0461576029
   C   8    0.0288512131
   C   9    0.1005399846
   C  10    0.1019675520
   H  11    0.0645843769
   H  12    0.0842849090
   H  13    0.0829723682


BOND ANGLES
   7    1    8  Car  Nar  Car    120.001
   5    4    6  Car  Car  Car    119.998
   5    4    9  Car  Car   C1    120.001
   6    4    9  Car  Car   C1    120.001
   4    5    7  Car  Car  Car    120.001
   4    5   10  Car  Car   C1    119.998
   7    5   10  Car  Car   C1    120.001
   4    6    8  Car  Car  Car    119.998
   4    6   11  Car  Car   HC    120.002
   8    6   11  Car  Car   HC    120.000
   1    7    5  Nar  Car  Car    120.001
   1    7   12  Nar  Car   HC    120.002
   5    7   12  Car  Car   HC    119.998
   1    8    6  Nar  Car  Car    120.001
   1    8   13  Nar  Car   HC    120.001
   6    8   13  Car  Car   HC    119.998
   2    9    4   N1   C1  Car    179.974
   3   10    5   N1   C1  Car    179.974


TORSION ANGLES
   8    1    7    5      0.026
   8    1    7   12    179.974
   7    1    8    6      0.026
   7    1    8   13    179.974
   6    4    5    7      0.026
   6    4    5   10    179.974
   9    4    5    7    179.974
   9    4    5   10      0.026
   5    4    6    8      0.026
   5    4    6   11    179.974
   9    4    6    8    179.974
   9    4    6   11      0.026
   5    4    9    2    180.000
   6    4    9    2    180.000
   4    5    7    1      0.026
   4    5    7   12    179.974
  10    5    7    1    179.974
  10    5    7   12      0.026
   4    5   10    3    180.000
   7    5   10    3    180.000
   4    6    8    1      0.026
   4    6    8   13    179.974
  11    6    8    1    179.974
  11    6    8   13      0.026