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5-Methylimidazo[1,2-a]pyridine
5-Methylimidazo[1,2-a]pyridine ID: API-42900
CAS:933-69-7
Supplier:APIchem

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SMILES:n12c(cccc1ncc2)C	ChemMol.com
FORMULA: C8H8N2
MASS: 132.1625
EXACT MASS: 132.0687483
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.6117     0.0000 
   C   3    1.0000     2.5576     0.0000 
   C   4    1.0000     0.9941     1.7320     0.0000 
   C   5    0.9941     1.6094     1.8228     1.6117     0.0000 
   C   6    1.7320     2.9792     1.0000     2.0000     2.6956     0.0000 
   C   7    1.7320     1.8228     2.0000     1.0000     2.5576     1.7320 
   C   8    1.7320     3.3393     1.0000     2.6457     2.1710     1.7320 
   C   9    2.0000     2.6956     1.7320     1.7320     2.9792     1.0000 
   C  10    1.6095     0.9940     2.5962     1.6095     0.9940     3.3000 
   H  11    1.4479     2.2072     2.0433     2.2101     0.6201     3.0069 
   H  12    2.2900     3.5979     1.4157     2.6199     3.2152     0.6200 
   H  13    2.2901     1.9872     2.6200     1.4158     3.0271     2.2901 
   H  14    1.5200     3.0476     1.1766     2.5121     1.6883     2.1114 
   H  15    2.2901     3.8747     1.6200     3.2380     2.5651     2.2901 
   H  16    2.1114     3.7125     1.1766     2.9083     2.7101     1.5200 
   H  17    2.6199     3.2152     2.2900     2.2900     3.5979     1.4158 
   H  18    2.2073     1.4478     3.1774     2.2073     1.4478     3.9140 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.0000     0.0000 
   C   9    1.0000     2.6457     0.0000 
   C  10    2.5962     3.1210     3.3000     0.0000 
   H  11    3.1227     2.0945     3.4394     1.4479     0.0000 
   H  12    2.2900     1.8396     1.4158     3.8842     3.4575     0.0000 
   H  13    0.6200     3.6200     1.4158     2.8922     3.6200     2.8059 
   H  14    3.0634     0.6200     2.9083     2.6747     1.5116     2.3470 
   H  15    3.6200     0.6200     3.2380     3.5503     2.3500     2.2900 
   H  16    3.0634     0.6200     2.5121     3.6188     2.6939     1.4244 
   H  17    1.4157     3.1407     0.6200     3.8842     4.0585     1.6200 
   H  18    3.1774     3.6188     3.9140     0.6200     1.7221     4.4924 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    3.6727     0.0000 
   H  15    4.2400     0.8768     0.0000 
   H  16    3.6727     1.2400     0.8768     0.0000 
   H  17    1.6199     3.4624     3.7058     2.9170     0.0000 
   H  18    3.4235     3.1210     3.9950     4.1497     4.4924     0.0000 




ATOMIC CHARGES
   N   1   -0.3038924978
   N   2   -0.2361180034
   C   3    0.0220485979
   C   4    0.1376950634
   C   5    0.0295162006
   C   6   -0.0421119900
   C   7   -0.0187863840
   C   8   -0.0238721693
   C   9   -0.0566643164
   C  10    0.0464124880
   H  11    0.0828617073
   H  12    0.0634829374
   H  13    0.0654079660
   H  14    0.0291966547
   H  15    0.0291966547
   H  16    0.0291966547
   H  17    0.0619237107
   H  18    0.0845067256


BOND ANGLES
   3    1    4  Car  Nar  Car    120.001
   3    1    5  Car  Nar  Car    132.151
   4    1    5  Car  Nar  Car    107.848
   4    2   10  Car  Nar  Car    108.103
   1    3    6  Nar  Car  Car    119.999
   1    3    8  Nar  Car   C3    120.001
   6    3    8  Car  Car   C3    120.001
   1    4    2  Nar  Car  Nar    107.848
   1    4    7  Nar  Car  Car    120.001
   2    4    7  Nar  Car  Car    132.151
   1    5   10  Nar  Car  Car    108.103
   1    5   11  Nar  Car   HC    125.944
  10    5   11  Car  Car   HC    125.953
   3    6    9  Car  Car  Car    120.001
   3    6   12  Car  Car   HC    119.998
   9    6   12  Car  Car   HC    120.002
   4    7    9  Car  Car  Car    119.999
   4    7   13  Car  Car   HC    120.001
   9    7   13  Car  Car   HC    120.001
   3    8   14  Car   C3   HC     90.000
   3    8   15  Car   C3   HC    179.974
   3    8   16  Car   C3   HC     90.000
  14    8   15   HC   C3   HC     90.000
  14    8   16   HC   C3   HC    179.974
  15    8   16   HC   C3   HC     90.000
   6    9    7  Car  Car  Car    120.001
   6    9   17  Car  Car   HC    120.002
   7    9   17  Car  Car   HC    119.998
   2   10    5  Nar  Car  Car    108.098
   2   10   18  Nar  Car   HC    125.951
   5   10   18  Car  Car   HC    125.951


TORSION ANGLES
   4    1    3    6      0.026
   4    1    3    8    179.974
   5    1    3    6    179.974
   5    1    3    8      0.026
   3    1    4    2    179.974
   3    1    4    7      0.026
   5    1    4    2      0.026
   5    1    4    7    179.974
   3    1    5   10    179.974
   3    1    5   11      0.026
   4    1    5   10      0.026
   4    1    5   11    179.974
  10    2    4    1      0.026
  10    2    4    7    179.974
   4    2   10    5      0.026
   4    2   10   18    179.974
   1    3    6    9      0.026
   1    3    6   12    179.974
   8    3    6    9    179.974
   8    3    6   12      0.026
   1    3    8   14      0.026
   1    3    8   15    180.000
   1    3    8   16    179.974
   6    3    8   14    179.974
   6    3    8   15    180.000
   6    3    8   16      0.026
   1    4    7    9      0.026
   1    4    7   13    179.974
   2    4    7    9    179.974
   2    4    7   13      0.026
   1    5   10    2      0.026
   1    5   10   18    179.974
  11    5   10    2    179.974
  11    5   10   18      0.026
   3    6    9    7      0.026
   3    6    9   17    179.974
  12    6    9    7    179.974
  12    6    9   17      0.026
   4    7    9    6      0.026
   4    7    9   17    179.974
  13    7    9    6    179.974
  13    7    9   17      0.026