Accuracy

neopentane    100 Neopentane

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    #  Species Formula
    90 SpiropentaneC5H8
    91 Cyclopentyl, cationC5H9
    92 2-Methyl-2-buteneC5H10
    93 cis-2-PenteneC5H10
    94 cis-DimethylcyclopropaneC5H10
    95 CyclopentaneC5H10
    96 trans-2-PenteneC5H10
    97 IsopentaneC5H12
    98 n-PentaneC5H12
    99 Neopentane (Geo)C5H12
   100 Neopentane C5H12
   101 BenzeneC6H6
   102 Benzene (Geo)C6H6
   103 FulveneC6H6
   104 Fulvene (Geo)C6H6
   105 (E)-1,3,5-HexatrieneC6H8
   106 (Z)-1,3,5-HexatrieneC6H8
   107 1,3-CyclohexadieneC6H8
   108 1,4-CyclohexadieneC6H8
   109 1-Methyl cyclopenteneC6H10
   110 1,2-DimethylcyclobuteneC6H10


ΔHf: -40.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 11.3 eV,     REF: J. N. Murrell, W. Schmidt, J. Chem. Soc., Faraday Trans. 2, 68, 1709 (1972).
  
 SYMMETRY
Neopentane
 HR=C&P1970 I=11.3 H=-40.3 IR=MS1972
 
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53730793 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53730793 +0  109.4710000 +0    0.0000000 +0     2     1     0
  H     1.09458472 +1  111.3089603 +1  179.9491807 +1     3     2     1
  C     1.53730793 +0  109.4736192 +1   59.9447176 +1     2     3     4
  C     1.53730793 +0  109.4718006 +1  -60.0547857 +1     2     3     4
  H     1.09458472 +0  111.3089603 +0   59.9395124 +1     3     2     1
  H     1.09458472 +0  111.3089603 +0  -60.0606039 +1     3     2     1
  H     1.09458472 +0  111.3089603 +0 -179.9412011 +1     1     2     3
  H     1.09458472 +0  111.3089603 +0   60.0646817 +1     1     2     3
  H     1.09458472 +0  111.3089603 +0  -59.9395354 +1     1     2     3
  H     1.09458472 +0  111.3089603 +0 -179.9705662 +1     5     2     6
  H     1.09458472 +0  111.3089603 +0   60.0266003 +1     5     2     6
  H     1.09458472 +0  111.3089603 +0  -59.9702238 +1     5     2     6
  H     1.09458472 +0  111.3089603 +0  179.9687205 +1     6     2     5
  H     1.09458472 +0  111.3089603 +0   59.9695424 +1     6     2     5
  H     1.09458472 +0  111.3089603 +0  -60.0294355 +1     6     2     5
 
   2  1    3    5    6
   4  1    7    8    9   10   11   12   13   14   15   16
   4  1   17
   4  2    7    8    9   10   11   12   13   14   15   16
   4  2   17