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2,6-Diethylpyridine
2,6-Diethylpyridine ID: API-42913
CAS:935-28-4
Supplier:APIchem

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SMILES:n1c(CC)cccc1CC	ChemMol.com
FORMULA: C9H13N
MASS: 135.2062
EXACT MASS: 135.1047994
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.0000     0.0000 
   C   3    1.0001     1.7321     0.0000 
   C   4    1.7320     1.0000     2.6458     0.0000 
   C   5    1.7321     2.6458     1.0000     3.4641     0.0000 
   C   6    1.7320     1.0000     2.0000     1.7320     3.0000     0.0000 
   C   7    1.7321     2.0000     1.0000     3.0000     1.7320     1.7321 
   C   8    2.0000     1.7320     1.7321     2.6457     2.6458     1.0000 
   C   9    2.6458     1.7321     3.4642     1.0001     4.3590     2.0000 
   C  10    2.6458     3.4641     1.7320     4.3589     1.0000     3.6055 
   H  11    1.4156     1.0813     2.4060     0.6200     3.1022     2.0296 
   H  12    2.1829     1.5968     3.1513     0.6201     3.8918     2.3452 
   H  13    2.1829     3.1512     1.5967     3.8917     0.6200     3.5889 
   H  14    1.4156     2.4059     1.0812     3.1021     0.6201     2.9561 
   H  15    2.2900     1.4158     2.6200     1.8397     3.6200     0.6200 
   H  16    2.2901     2.6200     1.4158     3.6200     1.8397     2.2901 
   H  17    2.6200     2.2901     2.2901     3.1407     3.1408     1.4158 
   H  18    2.9083     2.1115     3.8122     1.1767     4.6403     2.5558 
   H  19    3.2380     2.2901     4.0131     1.6200     4.9340     2.3716 
   H  20    2.5121     1.5201     3.1996     1.1766     4.1518     1.4956 
   H  21    2.5121     3.1995     1.5200     4.1517     1.1766     3.1879 
   H  22    3.2380     4.0130     2.2900     4.9339     1.6199     4.0601 
   H  23    2.9083     3.8121     2.1114     4.6402     1.1766     4.0750 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0001     0.0000 
   C   9    3.6056     3.0000     0.0000 
   C  10    2.0000     3.0000     5.1962     0.0000 
   H  11    2.9562     2.8114     1.5968     4.0507     0.0000 
   H  12    3.5890     3.2657     1.0813     4.8282     0.7971     0.0000 
   H  13    2.3451     3.2657     4.8282     1.0813     3.4641     4.2612 
   H  14    2.0296     2.8114     4.0507     1.5968     2.6670     3.4641 
   H  15    2.2901     1.4157     1.7733     4.2100     2.2861     2.3981 
   H  16    0.6200     1.4158     4.2101     1.7732     3.5651     4.2080 
   H  17    1.4158     0.6200     3.3533     3.3533     3.3701     3.7575 
   H  18    4.0751     3.5505     0.6200     5.5323     1.6344     0.8924 
   H  19    4.0602     3.3533     0.6200     5.7415     2.2128     1.6310 
   H  20    3.1880     2.4825     0.6200     4.9156     1.7880     1.5201 
   H  21    1.4955     2.4825     4.9156     0.6200     3.9245     4.6702 
   H  22    2.3715     3.3533     5.7415     0.6200     4.6496     5.4201 
   H  23    2.5557     3.5505     5.5323     0.6200     4.2642     5.0577 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.7971     0.0000 
   H  15    4.2080     3.5650     0.0000 
   H  16    2.3980     2.2861     2.8059     0.0000 
   H  17    3.7575     3.3701     1.6199     1.6200     0.0000 
   H  18    5.0577     4.2642     2.3826     4.6901     3.9391     0.0000 
   H  19    5.4201     4.6496     2.0000     4.6469     3.6200     0.8768 
   H  20    4.6702     3.9245     1.1753     3.7712     2.7824     1.2399 
   H  21    1.5201     1.7880     3.7711     1.1752     2.7824     5.3060 
   H  22    1.6310     2.2128     4.6468     2.0000     3.6200     6.1022 
   H  23    0.8924     1.6344     4.6900     2.3825     3.9391     5.8162 

              H  19      H  20      H  21      H  22      H  23
              -------------------------------------------------------
   H  19    0.0000 
   H  20    0.8768     0.0000 
   H  21    5.4278     4.5762     0.0000 
   H  22    6.2700     5.4278     0.8768     0.0000 
   H  23    6.1022     5.3060     1.2399     0.8768     0.0000 



ATOMIC CHARGES
   N   1   -0.2565290605
   C   2    0.0413336862
   C   3    0.0413336862
   C   4   -0.0132376070
   C   5   -0.0132376070
   C   6   -0.0403815434
   C   7   -0.0403815434
   C   8   -0.0583723012
   C   9   -0.0598431023
   C  10   -0.0598431023
   H  11    0.0325505649
   H  12    0.0325505649
   H  13    0.0325505649
   H  14    0.0325505649
   H  15    0.0635429866
   H  16    0.0635429866
   H  17    0.0618669916
   H  18    0.0233338784
   H  19    0.0233338784
   H  20    0.0233338784
   H  21    0.0233338784
   H  22    0.0233338784
   H  23    0.0233338784


BOND ANGLES
   2    1    3  Car  Nar  Car    120.001
   1    2    4  Nar  Car   C3    119.999
   1    2    6  Nar  Car  Car    120.001
   4    2    6   C3  Car  Car    120.001
   1    3    5  Nar  Car   C3    120.001
   1    3    7  Nar  Car  Car    119.998
   5    3    7   C3  Car  Car    120.001
   2    4    9  Car   C3   C3    120.001
   2    4   11  Car   C3   HC     80.006
   2    4   12  Car   C3   HC    160.003
   9    4   11   C3   C3   HC    159.993
   9    4   12   C3   C3   HC     79.996
  11    4   12   HC   C3   HC     79.997
   3    5   10  Car   C3   C3    119.999
   3    5   13  Car   C3   HC    159.996
   3    5   14  Car   C3   HC     79.999
  10    5   13   C3   C3   HC     80.006
  10    5   14   C3   C3   HC    160.003
  13    5   14   HC   C3   HC     79.997
   2    6    8  Car  Car  Car    120.001
   2    6   15  Car  Car   HC    120.002
   8    6   15  Car  Car   HC    119.998
   3    7    8  Car  Car  Car    119.998
   3    7   16  Car  Car   HC    120.002
   8    7   16  Car  Car   HC    120.000
   6    8    7  Car  Car  Car    120.001
   6    8   17  Car  Car   HC    120.001
   7    8   17  Car  Car   HC    119.998
   4    9   18   C3   C3   HC     90.004
   4    9   19   C3   C3   HC    179.974
   4    9   20   C3   C3   HC     89.996
  18    9   19   HC   C3   HC     90.000
  18    9   20   HC   C3   HC    179.974
  19    9   20   HC   C3   HC     90.000
   5   10   21   C3   C3   HC     89.999
   5   10   22   C3   C3   HC    179.974
   5   10   23   C3   C3   HC     90.001
  21   10   22   HC   C3   HC     90.000
  21   10   23   HC   C3   HC    179.974
  22   10   23   HC   C3   HC     90.000


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