Sign In Join Free

Products Information

2-methylpropanamide
2-methylpropanamide ID: AN-45954
CAS:563-83-7
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:O=C(N)C(C)C	68424
FORMULA: C4H9NO
MASS: 87.1204
EXACT MASS: 87.0684139
INTERATOMIC DISTANCES

              O   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    1.7321     0.0000 
   C   3    1.7320     1.7321     0.0000 
   C   4    2.0000     2.6458     1.0000     0.0000 
   C   5    2.6457     2.0000     1.0000     1.7320     0.0000 
   C   6    1.0000     1.0001     1.0000     1.7320     1.7320     0.0000 
   H   7    1.2346     1.8397     0.6200     0.8743     1.6200     0.8743 
   H   8    2.5557     2.9083     1.1766     0.6200     1.5200     2.1114 
   H   9    2.3715     3.2380     1.6199     0.6200     2.2900     2.2900 
   H  10    1.4955     2.5121     1.1766     0.6200     2.1114     1.5200 
   H  11    2.5121     1.4956     1.1766     2.1114     0.6200     1.5200 
   H  12    3.2380     2.3716     1.6200     2.2901     0.6200     2.2901 
   H  13    2.9083     2.5559     1.1766     1.5200     0.6200     2.1114 
   H  14    1.8397     0.6200     2.2901     3.1408     2.6200     1.4158 
   H  15    2.2901     0.6200     1.8397     2.8292     1.7733     1.4158 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    1.3470     0.0000 
   H   9    1.4157     0.8768     0.0000 
   H  10    0.6949     1.2399     0.8768     0.0000 
   H  11    1.7346     2.0379     2.7144     2.3520     0.0000 
   H  12    2.2400     1.9721     2.8059     2.7145     0.8768     0.0000 
   H  13    1.7346     1.1121     1.9721     2.0379     1.2400     0.8768 
   H  14    2.2901     3.4624     3.7058     2.9170     2.1060     2.9788 
   H  15    2.1302     2.9660     3.4457     2.8250     1.1752     2.0000 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    3.1721     0.0000 
   H  15    2.3826     1.0739     0.0000 



ATOMIC CHARGES
   O   1   -0.2757495309
   N   2   -0.3291096553
   C   3    0.0297193125
   C   4   -0.0543740928
   C   5   -0.0543740928
   C   6    0.2130462557
   H   7    0.0388553870
   H   8    0.0236851463
   H   9    0.0236851463
   H  10    0.0236851463
   H  11    0.0236851463
   H  12    0.0236851463
   H  13    0.0236851463
   H  14    0.1449377694
   H  15    0.1449377694


BOND ANGLES
   6    2   14   C2  Nam   HC    120.000
   6    2   15   C2  Nam   HC    119.998
  14    2   15   HC  Nam   HC    120.002
   4    3    5   C3   C3   C3    120.001
   4    3    6   C3   C3   C2    119.999
   4    3    7   C3   C3   HC     59.999
   5    3    6   C3   C3   C2    120.001
   5    3    7   C3   C3   HC    179.974
   6    3    7   C2   C3   HC     59.999
   3    4    8   C3   C3   HC     90.001
   3    4    9   C3   C3   HC    179.974
   3    4   10   C3   C3   HC     89.999
   8    4    9   HC   C3   HC     90.000
   8    4   10   HC   C3   HC    179.974
   9    4   10   HC   C3   HC     90.000
   3    5   11   C3   C3   HC     90.000
   3    5   12   C3   C3   HC    179.974
   3    5   13   C3   C3   HC     90.000
  11    5   12   HC   C3   HC     90.000
  11    5   13   HC   C3   HC    179.974
  12    5   13   HC   C3   HC     90.000
   1    6    2   O2   C2  Nam    119.998
   1    6    3   O2   C2   C3    120.001
   2    6    3  Nam   C2   C3    120.001


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