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2,6-Dimethylquinoline
2,6-Dimethylquinoline ID: API-42734
CAS:877-43-0
Supplier:APIchem

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SMILES:n1c2c(cc(cc2)C)ccc1C	ChemMol.com
FORMULA: C11H11N
MASS: 157.2117
EXACT MASS: 157.0891494
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.7321     0.0000 
   C   3    1.0001     1.0000     0.0000 
   C   4    3.0694     1.8001     2.0693     0.0000 
   C   5    2.6903     1.0416     1.7761     1.0417     0.0000 
   C   6    2.0000     1.0001     1.7321     2.7088     1.7603     0.0000 
   C   7    1.7603     1.7761     1.0416     1.8002     2.0694     2.6903 
   C   8    2.7088     2.0693     1.8001     1.0416     1.8002     3.0694 
   C   9    1.0000     2.0000     1.7321     3.6767     3.0416     1.7320 
   C  10    1.7320     1.7321     2.0000     3.5322     2.6799     1.0000 
   C  11    4.0693     2.7152     3.0693     1.0000     1.7702     3.5303 
   C  12    1.7320     3.0000     2.6458     4.6536     4.0415     2.6457 
   H  13    3.1811     1.4558     2.3299     1.4559     0.6199     1.8710 
   H  14    2.6200     1.4158     2.2901     2.8838     1.8548     0.6200 
   H  15    1.8710     2.3299     1.4558     2.3593     2.6893     3.1811 
   H  16    3.2062     2.6893     2.3593     1.4558     2.3594     3.6893 
   H  17    2.2900     2.2901     2.6200     4.0793     3.1709     1.4157 
   H  18    4.1121     2.5798     3.1265     1.1766     1.5498     3.2664 
   H  19    4.6893     3.3073     3.6892     1.6200     2.3255     4.0798 
   H  20    4.1204     2.9761     3.1359     1.1765     2.1527     3.8761 
   H  21    1.5200     3.0634     2.5121     4.5768     4.0912     2.9083 
   H  22    2.2900     3.6200     3.2380     5.2637     4.6615     3.2379 
   H  23    2.1114     3.0634     2.9083     4.8098     4.0864     2.5121 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0417     0.0000 
   C   9    2.6799     3.5322     0.0000 
   C  10    3.0416     3.6767     1.0000     0.0000 
   C  11    2.7152     1.7701     4.6529     4.4273     0.0000 
   C  12    3.4922     4.4241     1.0000     1.7320     5.6381     0.0000 
   H  13    2.6893     2.3593     3.3912     2.8620     1.8859     4.3807 
   H  14    3.1851     3.4192     2.2901     1.4158     3.5801     3.1407 
   H  15    0.6199     1.4559     2.8620     3.3912     3.2147     3.5457 
   H  16    1.4559     0.6200     4.0814     4.2806     1.8858     4.9366 
   H  17    3.6615     4.2811     1.4158     0.6200     4.9377     1.8397 
   H  18    2.9762     2.1527     4.5742     4.2194     0.6201     5.5728 
   H  19    3.3073     2.3255     5.2626     5.0023     0.6200     6.2509 
   H  20    2.5798     1.5497     4.8108     4.7082     0.6199     5.7695 
   H  21    3.2214     4.2125     1.1766     2.1114     5.5752     0.6200 
   H  22    4.0383     4.9977     1.6199     2.2900     6.2512     0.6200 
   H  23    3.8447     4.7085     1.1766     1.5200     5.7673     0.6200 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    1.7531     0.0000 
   H  15    3.3092     3.7142     0.0000 
   H  16    2.8788     4.0334     1.6658     0.0000 
   H  17    3.2668     1.6199     4.0041     4.8890     0.0000 
   H  18    1.4684     3.2187     3.5327     2.3929     4.6815     0.0000 
   H  19    2.3349     4.0758     3.7809     2.3349     5.4941     0.8768 
   H  20    2.3928     4.0054     2.9930     1.4683     5.2550     1.2400 
   H  21    4.5017     3.4624     3.1770     4.6771     2.3470     5.5786 
   H  22    4.9963     3.7058     4.0364     5.4915     2.2901     6.1922 
   H  23    4.3457     2.9170     3.9775     5.2568     1.4245     5.6357 

              H  19      H  20      H  21      H  22      H  23
              -------------------------------------------------------
   H  19    0.0000 
   H  20    0.8768     0.0000 
   H  21    6.1945     5.6404     0.0000 
   H  22    6.8653     6.3702     0.8768     0.0000 
   H  23    6.3674     5.9606     1.2399     0.8768     0.0000 



ATOMIC CHARGES
   N   1   -0.2518798378
   C   2    0.0006522478
   C   3    0.0712773050
   C   4   -0.0497616825
   C   5   -0.0496452866
   C   6   -0.0508740939
   C   7   -0.0354827420
   C   8   -0.0567964413
   C   9    0.0389281304
   C  10   -0.0400659163
   C  11   -0.0396891504
   C  12   -0.0223378616
   H  13    0.0626712234
   H  14    0.0624633844
   H  15    0.0638965672
   H  16    0.0620847102
   H  17    0.0635521173
   H  18    0.0277535127
   H  19    0.0277535127
   H  20    0.0277535127
   H  21    0.0292489295
   H  22    0.0292489295
   H  23    0.0292489295


BOND ANGLES
   3    1    9  Car  Nar  Car    120.001
   3    2    5  Car  Car  Car    120.886
   3    2    6  Car  Car  Car    119.998
   5    2    6  Car  Car  Car    119.116
   1    3    2  Nar  Car  Car    119.998
   1    3    7  Nar  Car  Car    119.116
   2    3    7  Car  Car  Car    120.886
   5    4    8  Car  Car  Car    119.560
   5    4   11  Car  Car   C3    120.221
   8    4   11  Car  Car   C3    120.219
   2    5    4  Car  Car  Car    119.554
   2    5   13  Car  Car   HC    120.221
   4    5   13  Car  Car   HC    120.225
   2    6   10  Car  Car  Car    120.001
   2    6   14  Car  Car   HC    119.998
  10    6   14  Car  Car   HC    120.001
   3    7    8  Car  Car  Car    119.554
   3    7   15  Car  Car   HC    120.221
   8    7   15  Car  Car   HC    120.225
   4    8    7  Car  Car  Car    119.560
   4    8   16  Car  Car   HC    120.225
   7    8   16  Car  Car   HC    120.215
   1    9   10  Nar  Car  Car    120.001
   1    9   12  Nar  Car   C3    119.999
  10    9   12  Car  Car   C3    120.001
   6   10    9  Car  Car  Car    120.001
   6   10   17  Car  Car   HC    119.998
   9   10   17  Car  Car   HC    120.002
   4   11   18  Car   C3   HC     89.998
   4   11   19  Car   C3   HC    179.974
   4   11   20  Car   C3   HC     89.998
  18   11   19   HC   C3   HC     89.995
  18   11   20   HC   C3   HC    179.974
  19   11   20   HC   C3   HC     90.008
   9   12   21  Car   C3   HC     89.999
   9   12   22  Car   C3   HC    179.974
   9   12   23  Car   C3   HC     90.001
  21   12   22   HC   C3   HC     90.000
  21   12   23   HC   C3   HC    179.974
  22   12   23   HC   C3   HC     90.000


TORSION ANGLES
   9    1    3    2      0.026
   9    1    3    7    179.974
   3    1    9   10      0.026
   3    1    9   12    179.974
   5    2    3    1    179.974
   5    2    3    7      0.026
   6    2    3    1      0.026
   6    2    3    7    179.974
   3    2    5    4      0.026
   3    2    5   13    179.974
   6    2    5    4    179.974
   6    2    5   13      0.026
   3    2    6   10      0.026
   3    2    6   14    179.974
   5    2    6   10    179.974
   5    2    6   14      0.026
   1    3    7    8    179.974
   1    3    7   15      0.026
   2    3    7    8      0.026
   2    3    7   15    179.974
   8    4    5    2      0.026
   8    4    5   13    179.974
  11    4    5    2    179.974
  11    4    5   13      0.026
   5    4    8    7      0.026
   5    4    8   16    179.974
  11    4    8    7    179.974
  11    4    8   16      0.026
   5    4   11   18      0.026
   5    4   11   19      0.026
   5    4   11   20    179.974
   8    4   11   18    179.974
   8    4   11   19    179.974
   8    4   11   20      0.026
   2    6   10    9      0.026
   2    6   10   17    179.974
  14    6   10    9    179.974
  14    6   10   17      0.026
   3    7    8    4      0.026
   3    7    8   16    179.974
  15    7    8    4    179.974
  15    7    8   16      0.026
   1    9   10    6      0.026
   1    9   10   17    179.974
  12    9   10    6    179.974
  12    9   10   17      0.026
   1    9   12   21      0.026
   1    9   12   22      0.026
   1    9   12   23    179.974
  10    9   12   21    179.974
  10    9   12   22    179.974
  10    9   12   23      0.026