Back to Features of PM6

Individual Molecules (Home)

101 i-Propyl radical

(Previous)     (Back)     (Next)
     

  #           Species Formula
  91 PropyneC3H4
  92 Propyne (Geo)C3H4
  93 Allyl, cationC3H5
  94 Cyclopropyl, cationC3H5
  95 Propenyl, cationC3H5
  96 AllylC3H5
  97 Cyclopropane (Geo)C3H6
  98 CyclopropaneC3H6
  99 PropeneC3H6
  100 Propene (Geo)C3H6
  101 i-Propyl radical C3H7
  102 PropaneC3H8
  103 Propane (Geo)C3H8
  104 Isopropyl lithiumC3H7Li
  105 Isopropyl lithium (Geo)C3H7Li
  106 Trimethyborane (Geo)C3H9B
  107 TrimethylboraneC3H9B
  108 Carbon, tetramerC4
  109 Diacetylene (Geo)C4H2
  110 DiacetyleneC4H2
  111 CH2=C=C=CH2 (Geo)C4H4



DHf: 16.8 kcal/mol,     REF: J. L. Franklin, J. G. Dillard, H. M. Rosenstock, J. T. Herron, K. Draxl, F. H. Field, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand., No. 26 (1969).

  
 OPEN(1,1)
i-Propyl radical
 H=16.8 HR=FDRH1969
  C         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
  C         1.47474269 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  C         1.47480846 +1  121.0489701 +1    0.0000000 +0    1    2    0       0.0000
  H         1.07345326 +1  119.5310537 +1  179.9978152 +1    1    2    3       0.0000
  H         1.09773115 +1  112.0217774 +1  151.5096296 +1    2    1    3       0.0000
  H         1.10027357 +1  110.1545886 +1  -89.0255862 +1    2    1    3       0.0000
  H         1.09792126 +1  112.4467816 +1   30.4773029 +1    2    1    3       0.0000
  H         1.09773550 +1  112.0288802 +1  151.6352721 +1    3    1    2       0.0000
  H         1.09793808 +1  112.4418951 +1   30.6030307 +1    3    1    2       0.0000
  H         1.10028529 +1  110.1572592 +1  -88.8953436 +1    3    1    2       0.0000