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N,N-Diethylchloroacetamide
N,N-Diethylchloroacetamide ID: API-45530
CAS:2315-36-8
Supplier:APIchem

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SMILES:ClCC(=O)N(CC)CC	ChemMol.com
FORMULA: C6H12ClNO
MASS: 149.6186
EXACT MASS: 149.0607417
INTERATOMIC DISTANCES

             Cl   1      O   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   O   2    2.0000     0.0000 
   N   3    2.6458     1.7321     0.0000 
   C   4    3.4641     2.0000     1.0000     0.0000 
   C   5    3.0000     2.6458     1.0000     1.7320     0.0000 
   C   6    1.7320     1.0000     1.0001     1.7321     1.7321     0.0000 
   C   7    4.3589     3.0000     1.7320     1.0000     2.0000     2.6458 
   C   8    4.0000     3.4641     1.7320     2.0000     1.0000     2.6458 
   C   9    1.0000     1.7320     1.7321     2.6458     2.0000     1.0000 
   H  10    3.1671     3.1512     1.5967     2.3451     0.6200     2.1829 
   H  11    2.4267     2.4059     1.0812     2.0295     0.6200     1.4155 
   H  12    3.1021     1.4332     1.0812     0.6200     2.0295     1.4155 
   H  13    3.8917     2.1944     1.5967     0.6199     2.3450     2.1829 
   H  14    4.6402     3.0634     2.1114     1.1766     2.5557     2.9083 
   H  15    4.9339     3.6200     2.2900     1.6199     2.3715     3.2380 
   H  16    4.1517     3.0634     1.5200     1.1766     1.4955     2.5121 
   H  17    4.0478     3.1995     1.5200     1.4956     1.1766     2.5121 
   H  18    4.6200     4.0130     2.2900     2.3716     1.6199     3.2380 
   H  19    4.0477     3.8121     2.1114     2.5558     1.1766     2.9083 
   H  20    1.5967     2.0295     1.4156     2.4060     1.4333     1.0812 
   H  21    1.0812     2.3450     2.1829     3.1512     2.1944     1.5967 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    3.4641     3.0000     0.0000 
   H  10    2.5068     1.0813     2.1943     0.0000 
   H  11    2.5068     1.5968     1.4332     0.7971     0.0000 
   H  12    1.5968     2.5068     2.4059     2.6462     2.1560     0.0000 
   H  13    1.0812     2.5068     3.1512     2.9532     2.6462     0.7971 
   H  14    0.6200     2.3520     3.8121     3.0941     3.0131     1.6344 
   H  15    0.6200     1.8396     4.0130     2.7883     2.9378     2.2128 
   H  16    0.6200     1.1121     3.1995     1.9400     2.0634     1.7880 
   H  17    1.1121     0.6200     3.0634     1.5201     1.7880     2.0635 
   H  18    1.8397     0.6200     3.6200     1.6309     2.2128     2.9378 
   H  19    2.3520     0.6200     3.0634     0.8924     1.6343     3.0131 
   H  20    3.1022     2.4267     0.6199     1.5763     0.8348     2.3120 
   H  21    3.8917     3.1671     0.6199     2.2153     1.5763     2.9752 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.8924     0.0000 
   H  15    1.6309     0.8768     0.0000 
   H  16    1.5200     1.2399     0.8768     0.0000 
   H  17    1.9400     1.7320     1.2732     0.4921     0.0000 
   H  18    2.7883     2.4324     1.7320     1.2732     0.8768     0.0000 
   H  19    3.0940     2.9720     2.4323     1.7320     1.2399     0.8768 
   H  20    2.9752     3.5240     3.6063     2.7563     2.5566     3.0448 
   H  21    3.6917     4.2935     4.4026     3.5531     3.3424     3.7773 

              H  19      H  20      H  21
              ---------------------------------
   H  19    0.0000 
   H  20    2.4516     0.0000 
   H  21    3.1077     0.7970     0.0000 



ATOMIC CHARGES
  Cl   1   -0.1155764507
   O   2   -0.2743110316
   N   3   -0.3010344268
   C   4    0.0118529796
   C   5    0.0118529796
   C   6    0.2302097347
   C   7   -0.0492909191
   C   8   -0.0492909191
   C   9    0.0990567848
   H  10    0.0461691580
   H  11    0.0461691580
   H  12    0.0461691580
   H  13    0.0461691580
   H  14    0.0244784218
   H  15    0.0244784218
   H  16    0.0244784218
   H  17    0.0244784218
   H  18    0.0244784218
   H  19    0.0244784218
   H  20    0.0524920529
   H  21    0.0524920529


BOND ANGLES
   4    3    5   C3  Nam   C3    120.001
   4    3    6   C3  Nam   C2    120.001
   5    3    6   C3  Nam   C2    119.998
   3    4    7  Nam   C3   C3    119.999
   3    4   12  Nam   C3   HC     79.993
   3    4   13  Nam   C3   HC    160.002
   7    4   12   C3   C3   HC    160.009
   7    4   13   C3   C3   HC     80.000
  12    4   13   HC   C3   HC     80.009
   3    5    8  Nam   C3   C3    120.001
   3    5   10  Nam   C3   HC    159.996
   3    5   11  Nam   C3   HC     79.997
   8    5   10   C3   C3   HC     80.004
   8    5   11   C3   C3   HC    160.002
  10    5   11   HC   C3   HC     79.999
   2    6    3   O2   C2  Nam    119.998
   2    6    9   O2   C2   C3    120.001
   3    6    9  Nam   C2   C3    120.001
   4    7   14   C3   C3   HC     90.001
   4    7   15   C3   C3   HC    179.974
   4    7   16   C3   C3   HC     89.999
  14    7   15   HC   C3   HC     90.000
  14    7   16   HC   C3   HC    179.974
  15    7   16   HC   C3   HC     90.000
   5    8   17   C3   C3   HC     90.001
   5    8   18   C3   C3   HC    179.974
   5    8   19   C3   C3   HC     89.999
  17    8   18   HC   C3   HC     90.000
  17    8   19   HC   C3   HC    179.974
  18    8   19   HC   C3   HC     90.000
   1    9    6   Cl   C3   C2    119.999
   1    9   20   Cl   C3   HC    160.002
   1    9   21   Cl   C3   HC     80.000
   6    9   20   C2   C3   HC     80.000
   6    9   21   C2   C3   HC    160.002
  20    9   21   HC   C3   HC     80.002


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