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2,3-dimethylbut-2-ene
2,3-dimethylbut-2-ene ID: AN-45952
CAS:563-79-1
Supplier:AN PharmaTech Co Ltd

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SMILES:C(=C(C)C)(C)C	11250
FORMULA: C6H12
MASS: 84.1595
EXACT MASS: 84.0939004
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.0000     0.0000 
   C   3    1.0000     1.7320     0.0000 
   C   4    1.7321     1.0001     2.6458     0.0000 
   C   5    1.0000     1.7320     1.7320     2.0000     0.0000 
   C   6    1.7320     1.0000     2.0000     1.7321     2.6457     0.0000 
   H   7    2.1114     1.1766     2.5558     1.5201     2.9083     0.6200 
   H   8    2.2901     1.6200     2.3715     2.2901     3.2380     0.6200 
   H   9    1.5200     1.1766     1.4955     2.1115     2.5121     0.6200 
   H  10    1.1766     2.1114     1.5200     2.5559     0.6200     2.9083 
   H  11    1.6200     2.2901     2.2901     2.3716     0.6200     3.2380 
   H  12    1.1766     1.5200     2.1114     1.4956     0.6200     2.5121 
   H  13    1.5201     1.1766     2.5121     0.6200     1.4956     2.1114 
   H  14    2.2901     1.6200     3.2380     0.6200     2.3716     2.2901 
   H  15    2.1115     1.1767     2.9083     0.6200     2.5558     1.5201 
   H  16    1.1766     1.5200     0.6200     2.5121     2.1114     1.4955 
   H  17    1.6199     2.2900     0.6200     3.2380     2.2900     2.3715 
   H  18    1.1766     2.1114     0.6200     2.9083     1.5200     2.5557 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    0.8768     0.0000 
   H   9    1.2400     0.8768     0.0000 
   H  10    3.2688     3.4558     2.6457     0.0000 
   H  11    3.4558     3.8390     3.1297     0.8768     0.0000 
   H  12    2.6457     3.1297     2.5278     1.2400     0.8768     0.0000 
   H  13    2.0379     2.7145     2.3521     2.0940     1.7876     0.9262 
   H  14    1.9721     2.8059     2.7145     2.9703     2.6200     1.7875 
   H  15    1.1121     1.9722     2.0380     3.0739     2.9703     2.0939 
   H  16    2.0939     1.7875     0.9261     2.0379     2.7145     2.3520 
   H  17    2.9702     2.6199     1.7874     1.9721     2.8059     2.7144 
   H  18    3.0738     2.9702     2.0938     1.1121     1.9721     2.0379 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 
   H  15    1.2399     0.8768     0.0000 
   H  16    2.5278     3.1297     2.6458     0.0000 
   H  17    3.1297     3.8389     3.4558     0.8768     0.0000 
   H  18    2.6458     3.4558     3.2689     1.2399     0.8768     0.0000 




ATOMIC CHARGES
   C   1   -0.0769827394
   C   2   -0.0769827394
   C   3   -0.0438134774
   C   4   -0.0438134774
   C   5   -0.0438134774
   C   6   -0.0438134774
   H   7    0.0274349490
   H   8    0.0274349490
   H   9    0.0274349490
   H  10    0.0274349490
   H  11    0.0274349490
   H  12    0.0274349490
   H  13    0.0274349490
   H  14    0.0274349490
   H  15    0.0274349490
   H  16    0.0274349490
   H  17    0.0274349490
   H  18    0.0274349490


BOND ANGLES
   2    1    3   C2   C2   C3    119.999
   2    1    5   C2   C2   C3    120.001
   3    1    5   C3   C2   C3    120.001
   1    2    4   C2   C2   C3    120.001
   1    2    6   C2   C2   C3    120.001
   4    2    6   C3   C2   C3    119.998
   1    3   16   C2   C3   HC     89.999
   1    3   17   C2   C3   HC    179.974
   1    3   18   C2   C3   HC     90.001
  16    3   17   HC   C3   HC     90.000
  16    3   18   HC   C3   HC    179.974
  17    3   18   HC   C3   HC     90.000
   2    4   13   C2   C3   HC     89.996
   2    4   14   C2   C3   HC    179.974
   2    4   15   C2   C3   HC     90.004
  13    4   14   HC   C3   HC     90.000
  13    4   15   HC   C3   HC    179.974
  14    4   15   HC   C3   HC     90.000
   1    5   10   C2   C3   HC     90.000
   1    5   11   C2   C3   HC    179.974
   1    5   12   C2   C3   HC     90.000
  10    5   11   HC   C3   HC     90.000
  10    5   12   HC   C3   HC    179.974
  11    5   12   HC   C3   HC     90.000
   2    6    7   C2   C3   HC     90.000
   2    6    8   C2   C3   HC    179.974
   2    6    9   C2   C3   HC     90.000
   7    6    8   HC   C3   HC     90.000
   7    6    9   HC   C3   HC    179.974
   8    6    9   HC   C3   HC     90.000


TORSION ANGLES
   3    1    2    4    179.974
   3    1    2    6      0.026
   5    1    2    4      0.026
   5    1    2    6    179.974
   2    1    3   16      0.026
   2    1    3   17      0.026
   2    1    3   18    179.974
   5    1    3   16    179.974
   5    1    3   17    179.974
   5    1    3   18      0.026
   2    1    5   10    179.974
   2    1    5   11    180.000
   2    1    5   12      0.026
   3    1    5   10      0.026
   3    1    5   11    180.000
   3    1    5   12    179.974
   1    2    4   13      0.026
   1    2    4   14      0.026
   1    2    4   15    179.974
   6    2    4   13    179.974
   6    2    4   14    179.974
   6    2    4   15      0.026
   1    2    6    7    179.974
   1    2    6    8    180.000
   1    2    6    9      0.026
   4    2    6    7      0.026
   4    2    6    8    180.000
   4    2    6    9    179.974