Accuracy
trimethyltin chloride
5548 Trimethyltin chloride
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Geometry predicted using PM7
ΔHf: -46.4 kcal/mol, REF: J. C. Baldwin, M. F. Lappert, J. B. Pedley, J. S. Poland, J. Chem. Soc., Dalton Trans., 1943 (1972).
Dipole: 3.5 Debye, REF: E. V. van den Berghe, G. P. van den Kelen, J. Organomet. Chem., 6, 515 (1966).
I.P.: 9.9 eV, REF: A. Flamini, E. Semprini, F. Stefani, S. Sorriso, G. Cardaci, J. Chem. Soc., Dalton Trans., 731 (1976).
PM7
Trimethyltin chloride
H=-46.4 I=9.88 D=3.5 HR=BLPP1972 IR=FSSS1976 DR=BK1966
Cl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Sn 2.35219060 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.12522427 +1 106.5158859 +1 0.0000000 +0 2 1 0
C 2.12520451 +1 106.4997223 +1 119.9618039 +1 2 1 3
C 2.12515664 +1 106.5356646 +1 -120.0071029 +1 2 1 3
H 1.09019254 +1 111.6429196 +1 173.4440490 +1 3 2 1
H 1.09137471 +1 111.4657522 +1 -66.2135714 +1 3 2 1
H 1.09187289 +1 111.2530516 +1 53.2988061 +1 3 2 1
H 1.09021080 +1 111.6315280 +1 -176.1974533 +1 4 2 1
H 1.09177100 +1 111.2892296 +1 -56.0137644 +1 4 2 1
H 1.09143371 +1 111.4402441 +1 63.5013011 +1 4 2 1
H 1.09024498 +1 111.6131248 +1 174.1796506 +1 5 2 1
H 1.09136793 +1 111.4679723 +1 -65.4996765 +1 5 2 1
H 1.09178854 +1 111.2861850 +1 54.0291700 +1 5 2 1