Accuracy

isopropyl lithium    100 Isopropyl lithium

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    #  Species Formula
    90 Cyclopropyl, cationC3H5
    91 Propenyl, cationC3H5
    92 AllylC3H5
    93 Cyclopropane (Geo)C3H6
    94 CyclopropaneC3H6
    95 PropeneC3H6
    96 Propene (Geo)C3H6
    97 i-Propyl radicalC3H7
    98 PropaneC3H8
    99 Propane (Geo)C3H8
   100 Isopropyl lithium H7LiC3
   101 Isopropyl lithium (Geo)H7LiC3
   102 Trimethyborane (Geo)H9BC3
   103 TrimethylboraneH9BC3
   104 Carbon, tetramerC4
   105 Diacetylene (Geo)C4H2
   106 DiacetyleneC4H2
   107 CH2=C=C=CH2 (Geo)C4H4
   108 CH2=C=C=CH2C4H4
   109 Vinylacetylene (Geo)C4H4
   110 VinylacetyleneC4H4


ΔHf: 24.4 kcal/mol,     REF: M. Sana, G. Leroy, and C. Wilante, Organometallics, 10, 264 (1991)
Dipole: 5.9 Debye,     REF: E. Anders, R. Koch, and P. Freunscht, J. Comp. Chem., 14, 1301-1312 (1993).
  
 PM7
Isopropyl lithium
 D=5.92 DR=AKF1993 H=24.4 HR=SLW1991
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.09294188 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09589240 +1  107.6937239 +1    0.0000000 +0     2     1     0
  H     1.09555152 +1  107.3869016 +1  120.0000000 +0     2     1     3
  C     1.52442585 +1  112.4224629 +1 -119.4744619 +1     2     1     3
  H     1.09338112 +1  109.8773504 +1  120.0000000 +0     5     2     1
 Li     1.96797840 +1  108.6697248 +1    0.0000000 +0     5     2     1
  C     1.51880128 +1  113.9119545 +1 -120.0000000 +0     5     2     1
  H     1.09454470 +1  114.1253503 +1  120.0000000 +0     8     5     2
  H     1.09767138 +1  112.0202610 +1    0.0000000 +0     8     5     2
  H     1.09747202 +1  111.2533618 +1 -120.0000000 +0     8     5     2