PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
isopropyl lithium
100 Isopropyl lithium
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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