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3-methylbut-1-ene
3-methylbut-1-ene ID: AN-23701
CAS:563-45-1
Supplier:AN PharmaTech Co Ltd

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SMILES:C(C)(C)C=C	11239
FORMULA: C5H10
MASS: 70.1329
EXACT MASS: 70.0782503
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      H   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.0000     0.0000 
   C   3    1.0000     1.7320     0.0000 
   C   4    1.0000     1.7320     1.7320     0.0000 
   C   5    1.7321     2.6458     2.0000     1.0001     0.0000 
   H   6    0.6200     0.8743     1.6200     0.8743     1.8397     0.0000 
   H   7    1.1766     0.6200     2.1114     1.5200     2.5121     0.6949 
   H   8    1.6199     0.6200     2.2900     2.2900     3.2380     1.4157 
   H   9    1.1766     0.6200     1.5200     2.1114     2.9083     1.3470 
   H  10    1.1766     1.5200     0.6200     2.1114     2.5559     1.7346 
   H  11    1.6200     2.2901     0.6200     2.2901     2.3716     2.2400 
   H  12    1.1766     2.1114     0.6200     1.5200     1.4956     1.7346 
   H  13    1.4158     1.8396     2.2901     0.6200     1.4158     1.0000 
   H  14    1.8397     2.8292     1.7733     1.4158     0.6200     2.1302 
   H  15    2.2901     3.1408     2.6200     1.4158     0.6200     2.2901 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    0.8768     0.0000 
   H   9    1.2399     0.8768     0.0000 
   H  10    2.0379     1.9721     1.1121     0.0000 
   H  11    2.7145     2.8059     1.9721     0.8768     0.0000 
   H  12    2.3520     2.7144     2.0379     1.2400     0.8768     0.0000 
   H  13    1.4244     2.2900     2.3470     2.5889     2.8736     2.1342 
   H  14    2.8250     3.4457     2.9660     2.3826     2.0000     1.1752 
   H  15    2.9170     3.7058     3.4624     3.1721     2.9788     2.1060 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    1.9436     0.0000 
   H  15    1.6200     1.0739     0.0000 



ATOMIC CHARGES
   C   1   -0.0288213637
   C   2   -0.0592151688
   C   3   -0.0592151688
   C   4   -0.0885315827
   C   5   -0.1023847005
   H   6    0.0337500617
   H   7    0.0235271039
   H   8    0.0235271039
   H   9    0.0235271039
   H  10    0.0235271039
   H  11    0.0235271039
   H  12    0.0235271039
   H  13    0.0568897168
   H  14    0.0531827914
   H  15    0.0531827914


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


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