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1,2-Dimethylindole
1,2-Dimethylindole ID: API-42722
CAS:875-79-6
Supplier:APIchem

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SMILES:n1(c2c(cc1C)cccc2)C	ChemMol.com
FORMULA: C10H11N
MASS: 145.2010
EXACT MASS: 145.0891494
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.9941     0.0000 
   C   3    1.6117     1.0000     0.0000 
   C   4    0.9940     1.6095     1.6095     0.0000 
   C   5    1.6095     1.6118     0.9942     0.9941     0.0000 
   C   6    1.8228     1.0000     1.7320     2.5962     2.5577     0.0000 
   C   7    1.0000     1.7763     2.5818     1.7763     2.5788     2.2532 
   C   8    2.5576     1.7320     1.0000     2.5962     1.8228     2.0000 
   C   9    1.7763     2.5788     2.5788     1.0000     1.7764     3.5401 
   C  10    2.6956     1.7320     2.0000     3.3000     2.9792     1.0000 
   C  11    2.9792     2.0000     1.7320     3.3000     2.6956     1.7320 
   H  12    2.2072     2.2101     1.4479     1.4479     0.6200     3.1227 
   H  13    1.9872     1.4158     2.2901     2.8922     3.0272     0.6200 
   H  14    1.1766     2.1302     2.7682     1.5943     2.5327     2.7700 
   H  15    1.6200     2.3460     3.1926     2.3460     3.1893     2.6776 
   H  16    1.1766     1.5943     2.5372     2.1301     2.7667     1.8028 
   H  17    3.0271     2.2901     1.4158     2.8922     1.9872     2.6200 
   H  18    2.1302     2.7667     2.5327     1.1766     1.5943     3.7625 
   H  19    2.3459     3.1893     3.1893     1.6200     2.3460     4.1385 
   H  20    1.5943     2.5327     2.7667     1.1766     2.1302     3.4171 
   H  21    3.2152     2.2900     2.6199     3.8842     3.5979     1.4157 
   H  22    3.5979     2.6199     2.2900     3.8842     3.2152     2.2900 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.4782     0.0000 
   C   9    2.1682     3.5401     0.0000 
   C  10    3.2418     1.7320     4.2911     0.0000 
   C  11    3.7443     1.0000     4.2911     1.0000     0.0000 
   H  12    3.1515     2.0433     1.9694     3.4394     3.0069     0.0000 
   H  13    2.1272     2.6200     3.7625     1.4158     2.2901     3.6200 
   H  14    0.6201     3.7314     1.7056     3.7327     4.1302     3.0401 
   H  15    0.6201     4.0679     2.5816     3.6776     4.2678     3.7516 
   H  16    0.6200     3.3229     2.6948     2.8025     3.4278     3.3750 
   H  17    3.9873     0.6200     3.7625     2.2901     1.4158     2.0176 
   H  18    2.6948     3.4171     0.6200     4.4066     4.2636     1.5919 
   H  19    2.5815     4.1385     0.6200     4.9074     4.9074     2.4470 
   H  20    1.7056     3.7625     0.6200     4.2636     4.4066     2.4477 
   H  21    3.6503     2.2900     4.8667     0.6200     1.4158     4.0585 
   H  22    4.3602     1.4157     4.8667     1.4158     0.6200     3.4575 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    2.7129     0.0000 
   H  15    2.4262     0.8769     0.0000 
   H  16    1.5682     1.2400     0.8768     0.0000 
   H  17    3.2400     4.1816     4.5913     3.8834     0.0000 
   H  18    4.0681     2.2871     3.1553     3.1720     3.5401     0.0000 
   H  19    4.3303     2.0350     2.8963     3.1553     4.3303     0.8768 
   H  20    3.5401     1.1644     2.0351     2.2872     4.0681     1.2400 
   H  21    1.6199     4.1835     4.0226     3.1492     2.8059     5.0073 
   H  22    2.8059     4.7502     4.8763     4.0285     1.6199     4.8026 

              H  19      H  20      H  21      H  22
              --------------------------------------------
   H  19    0.0000 
   H  20    0.8768     0.0000 
   H  21    5.4790     4.8026     0.0000 
   H  22    5.4790     5.0073     1.6200     0.0000 



ATOMIC CHARGES
   N   1   -0.3471087943
   C   2    0.0490094780
   C   3    0.0000975615
   C   4    0.0164282299
   C   5   -0.0334895140
   C   6   -0.0376070688
   C   7    0.0121105438
   C   8   -0.0525729776
   C   9   -0.0242426282
   C  10   -0.0597781593
   C  11   -0.0610745705
   H  12    0.0641238521
   H  13    0.0638268814
   H  14    0.0455704621
   H  15    0.0455704621
   H  16    0.0455704621
   H  17    0.0624087577
   H  18    0.0291858512
   H  19    0.0291858512
   H  20    0.0291858512
   H  21    0.0618220310
   H  22    0.0617774371


BOND ANGLES
   2    1    4  Car  Nar  Car    108.103
   2    1    7  Car  Nar   C3    125.944
   4    1    7  Car  Nar   C3    125.953
   1    2    3  Nar  Car  Car    107.848
   1    2    6  Nar  Car  Car    132.151
   3    2    6  Car  Car  Car    120.001
   2    3    5  Car  Car  Car    107.854
   2    3    8  Car  Car  Car    120.001
   5    3    8  Car  Car  Car    132.146
   1    4    5  Nar  Car  Car    108.101
   1    4    9  Nar  Car   C3    125.951
   5    4    9  Car  Car   C3    125.948
   3    5    4  Car  Car  Car    108.094
   3    5   12  Car  Car   HC    125.952
   4    5   12  Car  Car   HC    125.953
   2    6   10  Car  Car  Car    119.999
   2    6   13  Car  Car   HC    120.001
  10    6   13  Car  Car   HC    120.001
   1    7   14  Nar   C3   HC     90.000
   1    7   15  Nar   C3   HC    179.974
   1    7   16  Nar   C3   HC     90.003
  14    7   15   HC   C3   HC     90.000
  14    7   16   HC   C3   HC    179.974
  15    7   16   HC   C3   HC     89.997
   3    8   11  Car  Car  Car    119.999
   3    8   17  Car  Car   HC    120.001
  11    8   17  Car  Car   HC    120.001
   4    9   18  Car   C3   HC     90.000
   4    9   19  Car   C3   HC    179.974
   4    9   20  Car   C3   HC     90.000
  18    9   19   HC   C3   HC     90.000
  18    9   20   HC   C3   HC    179.974
  19    9   20   HC   C3   HC     90.000
   6   10   11  Car  Car  Car    120.001
   6   10   21  Car  Car   HC    119.998
  11   10   21  Car  Car   HC    120.002
   8   11   10  Car  Car  Car    120.001
   8   11   22  Car  Car   HC    119.998
  10   11   22  Car  Car   HC    120.002


TORSION ANGLES
   4    1    2    3      0.026
   4    1    2    6    179.974
   7    1    2    3    179.974
   7    1    2    6      0.026
   2    1    4    5      0.026
   2    1    4    9    179.974
   7    1    4    5    179.974
   7    1    4    9      0.026
   2    1    7   14    179.974
   2    1    7   15      0.026
   2    1    7   16      0.026
   4    1    7   14      0.026
   4    1    7   15    179.974
   4    1    7   16    179.974
   1    2    3    5      0.026
   1    2    3    8    179.974
   6    2    3    5    179.974
   6    2    3    8      0.026
   1    2    6   10    179.974
   1    2    6   13      0.026
   3    2    6   10      0.026
   3    2    6   13    179.974
   2    3    5    4      0.026
   2    3    5   12    179.974
   8    3    5    4    179.974
   8    3    5   12      0.026
   2    3    8   11      0.026
   2    3    8   17    179.974
   5    3    8   11    179.974
   5    3    8   17      0.026
   1    4    5    3      0.026
   1    4    5   12    179.974
   9    4    5    3    179.974
   9    4    5   12      0.026
   1    4    9   18    179.974
   1    4    9   19    180.000
   1    4    9   20      0.026
   5    4    9   18      0.026
   5    4    9   19    180.000
   5    4    9   20    179.974
   2    6   10   11      0.026
   2    6   10   21    179.974
  13    6   10   11    179.974
  13    6   10   21      0.026
   3    8   11   10      0.026
   3    8   11   22    179.974
  17    8   11   10    179.974
  17    8   11   22      0.026
   6   10   11    8      0.026
   6   10   11   22    179.974
  21   10   11    8    179.974
  21   10   11   22      0.026