Back to Features of PM6

Individual Molecules (Home)

98 Cyclopropane

(Previous)     (Back)     (Next)
     

  #           Species Formula
  88 Allene (Geo)C3H4
  89 Cyclopropene (Geo)C3H4
  90 CyclopropeneC3H4
  91 PropyneC3H4
  92 Propyne (Geo)C3H4
  93 Allyl, cationC3H5
  94 Cyclopropyl, cationC3H5
  95 Propenyl, cationC3H5
  96 AllylC3H5
  97 Cyclopropane (Geo)C3H6
  98 Cyclopropane C3H6
  99 PropeneC3H6
  100 Propene (Geo)C3H6
  101 i-Propyl radicalC3H7
  102 PropaneC3H8
  103 Propane (Geo)C3H8
  104 Isopropyl lithiumC3H7Li
  105 Isopropyl lithium (Geo)C3H7Li
  106 Trimethyborane (Geo)C3H9B
  107 TrimethylboraneC3H9B
  108 Carbon, tetramerC4



DHf: 12.7 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 11.0 eV,     REF: D. W. Turner, C. Baker, A. D. Baker, C. R. Brundle, "Molecular Photoelectron Spectroscopy," Wiley-Interscience, London, 1970.

  
 SYMMETRY
Cyclopropane
 HR=C&P1970 I=11.0 H=12.73,0.14 IR=TBBB1970
  C         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
  C         1.51634674 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  C         1.51634674 +0   60.0000000 +0    0.0000000 +0    1    2    0       0.0000
  H         1.08723648 +1  119.5441090 +1 -109.1001537 +1    1    2    3       0.0000
  H         1.08723648 +0  119.5441090 +0  109.0968710 +1    1    2    3       0.0000
  H         1.08723648 +0  119.5441090 +0 -109.1001537 +0    2    1    3       0.0000
  H         1.08723648 +0  119.5441090 +0  109.0968710 +0    2    1    3       0.0000
  H         1.08723648 +0  119.5441090 +0 -109.1001537 +0    3    1    2       0.0000
  H         1.08723648 +0  119.5441090 +0  109.0968710 +0    3    1    2       0.0000