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1H-indazole-4-carbonitrile
1H-indazole-4-carbonitrile ID: AN-17110
CAS:861340-10-5
Supplier:AN PharmaTech Co Ltd

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SMILES:[nH]1ncc2c1cccc2C#N	24729347
FORMULA: C8H5N3
MASS: 143.1454
EXACT MASS: 143.0483472
INTERATOMIC DISTANCES

              N   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    0.9940     0.0000 
   N   3    4.2143     3.8393     0.0000 
   C   4    1.6117     1.6095     2.6457     0.0000 
   C   5    0.9941     1.6095     3.6055     1.0000     0.0000 
   C   6    2.5576     2.5962     2.0000     1.0000     1.7320     0.0000 
   C   7    1.8228     2.5962     4.0000     1.7320     1.0000     2.0000 
   C   8    1.6095     0.9941     2.8466     0.9942     1.6118     1.8228 
   C   9    2.9792     3.3000     2.6457     1.7320     2.0000     1.0000 
   C  10    2.6956     3.3000     3.6055     2.0000     1.7320     1.7320 
   C  11    3.3393     3.1210     1.0000     1.7320     2.6457     1.0000 
   H  12    1.9872     2.8922     4.6200     2.2901     1.4158     2.6200 
   H  13    2.2072     1.4479     2.5688     1.4479     2.2101     2.0433 
   H  14    0.6200     1.4478     4.8298     2.2101     1.4479     3.1226 
   H  15    3.5979     3.8842     2.6008     2.2900     2.6199     1.4157 
   H  16    3.2152     3.8842     4.0601     2.6199     2.2900     2.2900 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.5577     0.0000 
   C   9    1.7320     2.6956     0.0000 
   C  10    1.0000     2.9792     1.0000     0.0000 
   C  11    3.0000     2.1709     1.7320     2.6457     0.0000 
   H  12    0.6200     3.0272     2.2901     1.4158     3.6200     0.0000 
   H  13    3.1227     0.6200     3.0069     3.4394     2.0945     3.6200 
   H  14    2.0432     2.2072     3.4394     3.0069     3.9419     2.0176 
   H  15    2.2900     3.2152     0.6200     1.4158     1.8396     2.8059 
   H  16    1.4157     3.5979     1.4158     0.6200     3.1407     1.6199 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    2.7881     0.0000 
   H  15    3.4575     4.0584     0.0000 
   H  16    4.0585     3.4575     1.6200     0.0000 



ATOMIC CHARGES
   N   1   -0.2769231184
   N   2   -0.1811435618
   N   3   -0.1908489370
   C   4    0.0367993333
   C   5    0.0669613663
   C   6    0.0624094067
   C   7   -0.0362177657
   C   8    0.0581151803
   C   9   -0.0435990317
   C  10   -0.0585204198
   C  11    0.0998610294
   H  12    0.0638696506
   H  13    0.0854223719
   H  14    0.1889012145
   H  15    0.0630538057
   H  16    0.0618594757


BOND ANGLES
   2    1    5  Nar  Nar  Car    108.103
   2    1   14  Nar  Nar   HC    125.950
   5    1   14  Car  Nar   HC    125.947
   1    2    8  Nar  Nar  Car    108.101
   5    4    6  Car  Car  Car    120.001
   5    4    8  Car  Car  Car    107.854
   6    4    8  Car  Car  Car    132.146
   1    5    4  Nar  Car  Car    107.848
   1    5    7  Nar  Car  Car    132.151
   4    5    7  Car  Car  Car    120.001
   4    6    9  Car  Car  Car    119.999
   4    6   11  Car  Car   C1    120.001
   9    6   11  Car  Car   C1    120.001
   5    7   10  Car  Car  Car    119.999
   5    7   12  Car  Car   HC    120.001
  10    7   12  Car  Car   HC    120.001
   2    8    4  Nar  Car  Car    108.094
   2    8   13  Nar  Car   HC    125.953
   4    8   13  Car  Car   HC    125.952
   6    9   10  Car  Car  Car    120.001
   6    9   15  Car  Car   HC    119.998
  10    9   15  Car  Car   HC    120.002
   7   10    9  Car  Car  Car    120.001
   7   10   16  Car  Car   HC    119.998
   9   10   16  Car  Car   HC    120.002
   3   11    6   N1   C1  Car    179.974


TORSION ANGLES
   5    1    2    8      0.026
  14    1    2    8    179.974
   2    1    5    4      0.026
   2    1    5    7    179.974
  14    1    5    4    179.974
  14    1    5    7      0.026
   1    2    8    4      0.026
   1    2    8   13    179.974
   6    4    5    1    179.974
   6    4    5    7      0.026
   8    4    5    1      0.026
   8    4    5    7    179.974
   5    4    6    9      0.026
   5    4    6   11    179.974
   8    4    6    9    179.974
   8    4    6   11      0.026
   5    4    8    2      0.026
   5    4    8   13    179.974
   6    4    8    2    179.974
   6    4    8   13      0.026
   1    5    7   10    179.974
   1    5    7   12      0.026
   4    5    7   10      0.026
   4    5    7   12    179.974
   4    6    9   10      0.026
   4    6    9   15    179.974
  11    6    9   10    179.974
  11    6    9   15      0.026
   4    6   11    3    180.000
   9    6   11    3    180.000
   5    7   10    9      0.026
   5    7   10   16    179.974
  12    7   10    9    179.974
  12    7   10   16      0.026
   6    9   10    7      0.026
   6    9   10   16    179.974
  15    9   10    7    179.974
  15    9   10   16      0.026