Sign In Join Free

Products Information

1-bromo-2-methyl-propane
1-bromo-2-methyl-propane ID: AN-23958
CAS:78-77-3
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:BrCC(C)C	6555
FORMULA: C4H9Br
MASS: 137.0183
EXACT MASS: 135.9887623
INTERATOMIC DISTANCES

             Br   1      C   2      C   3      C   4      C   5      H   6
              ------------------------------------------------------------------
  Br   1    0.0000 
   C   2    1.7321     0.0000 
   C   3    1.0001     1.0000     0.0000 
   C   4    2.6458     1.0000     1.7320     0.0000 
   C   5    2.0000     1.0000     1.7320     1.7320     0.0000 
   H   6    1.8397     0.6200     0.8743     0.8743     1.6200     0.0000 
   H   7    1.0813     1.5968     0.6201     2.1829     2.3452     1.3135 
   H   8    1.5968     1.0813     0.6200     1.4156     2.0296     0.5870 
   H   9    2.5121     1.1766     1.5200     0.6200     2.1114     0.6949 
   H  10    3.2380     1.6199     2.2900     0.6200     2.2900     1.4157 
   H  11    2.9083     1.1766     2.1114     0.6200     1.5200     1.3470 
   H  12    2.5559     1.1766     2.1114     1.5200     0.6200     1.7346 
   H  13    2.3716     1.6200     2.2901     2.2901     0.6200     2.2400 
   H  14    1.4956     1.1766     1.5200     2.1114     0.6200     1.7346 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    0.7971     0.0000 
   H   9    1.8217     1.0254     0.0000 
   H  10    2.6726     1.8777     0.8768     0.0000 
   H  11    2.6421     1.9300     1.2399     0.8768     0.0000 
   H  12    2.7299     2.2546     2.0379     1.9721     1.1121     0.0000 
   H  13    2.8867     2.6368     2.7145     2.8059     1.9721     0.8768 
   H  14    2.0775     1.9809     2.3520     2.7144     2.0379     1.2400 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 



ATOMIC CHARGES
  Br   1   -0.0914939170
   C   2   -0.0371181338
   C   3    0.0056717575
   C   4   -0.0619158600
   C   5   -0.0619158600
   H   6    0.0303368188
   H   7    0.0384459196
   H   8    0.0384459196
   H   9    0.0232572259
   H  10    0.0232572259
   H  11    0.0232572259
   H  12    0.0232572259
   H  13    0.0232572259
   H  14    0.0232572259


BOND ANGLES
   3    2    4   C3   C3   C3    119.999
   3    2    5   C3   C3   C3    120.001
   3    2    6   C3   C3   HC     59.999
   4    2    5   C3   C3   C3    120.001
   4    2    6   C3   C3   HC     59.999
   5    2    6   C3   C3   HC    179.974
   1    3    2   Br   C3   C3    120.001
   1    3    7   Br   C3   HC     79.996
   1    3    8   Br   C3   HC    159.993
   2    3    7   C3   C3   HC    160.003
   2    3    8   C3   C3   HC     80.006
   7    3    8   HC   C3   HC     79.997
   2    4    9   C3   C3   HC     89.999
   2    4   10   C3   C3   HC    179.974
   2    4   11   C3   C3   HC     90.001
   9    4   10   HC   C3   HC     90.000
   9    4   11   HC   C3   HC    179.974
  10    4   11   HC   C3   HC     90.000
   2    5   12   C3   C3   HC     90.000
   2    5   13   C3   C3   HC    179.974
   2    5   14   C3   C3   HC     90.000
  12    5   13   HC   C3   HC     90.000
  12    5   14   HC   C3   HC    179.974
  13    5   14   HC   C3   HC     90.000


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