Accuracy

1,2-dimethyl cyclopropene    148 1,2-Dimethyl cyclopropene

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
   138 n-Butane, transC4H10
   139 t-butyl lithium (Geo)H9LiC4
   140 n-Butyl lithium (Geo)H9LiC4
   141 n-Butyl lithiumH9LiC4
   142 t-Butyl lithiumH9LiC4
   143 DiethylberylliumH10BeC4
   144 C4B2H6C4H6B2
   145 Cyclopentadienyl, anionC5H5
   146 Cyclopentadiene (Geo)C5H6
   147 CyclopentadieneC5H6
   148 1,2-Dimethyl cyclopropene C5H8
   149 1,4-PentadieneC5H8
   150 1,cis-3-PentadieneC5H8
   151 1,trans-3-PentadieneC5H8
   152 Bicyclo(2.1.0)-pentaneC5H8
   153 CyclopenteneC5H8
   154 IsopreneC5H8
   155 Methylene cyclobutaneC5H8
   156 Spiropentane (Geo)C5H8
   157 SpiropentaneC5H8
   158 Cyclopentyl, cationC5H9


ΔHf: 46.4 kcal/mol,     REF: R. B. Turner, P. Goebel, B. J. Mallon, W. von E. Doering, J. F. Coburn, M. Pomerantz, J. Am. Chem. Soc., 90, 4315 (1968).
  
 PM7
1,2-Dimethyl cyclopropene
 HR=TGMD1968 H=46.4
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.50455174 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.50462513 +1   51.8613056 +1    0.0000000 +0     2     1     0
  C     1.44466991 +1  142.7285357 +1  179.9919729 +1     3     2     1
  C     1.44464626 +1  142.7307337 +1 -179.9923571 +1     1     2     3
  H     1.08445546 +1  120.8570734 +1 -106.8992653 +1     2     1     3
  H     1.08445300 +1  120.8700048 +1  106.9084851 +1     2     1     3
  H     1.10297735 +1  112.0353222 +1   -0.1561535 +1     4     3     2
  H     1.10438434 +1  111.5922112 +1  120.1186841 +1     4     3     2
  H     1.10437976 +1  111.6042545 +1 -120.4501069 +1     4     3     2
  H     1.10297213 +1  112.0347835 +1    0.1477925 +1     5     1     2
  H     1.10437345 +1  111.6085619 +1  120.4401642 +1     5     1     2
  H     1.10437726 +1  111.5966881 +1 -120.1258305 +1     5     1     2