PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
trimethyltin bromide
5591 Trimethyltin bromide
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ΔHf: -33.6 kcal/mol, REF: H. A. Skinner, Adv. Organomet. Chem., 2, 49 (1964).
Dipole: 3.5 Debye, REF: E. V. van den Berghe, G. P. van den Kelen, J. Organomet. Chem., 6, 515 (1966).
I.P.: 9.6 eV, REF: A. Flamini, E. Semprini, F. Stefani, S. Sorriso, G. Cardaci, J. Chem. Soc., Dalton Trans., 731 (1976).
SYMMETRY PM7
Trimethyltin bromide
H=-33.6 I=9.6 D=3.45 HR=S1964 IR=FSSS1976 DR=BK1966
Br 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Sn 2.42458584 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.12765381 +1 107.2517697 +1 0.0000000 +0 2 1 0
C 2.12765381 +0 107.2517697 +0 119.9983653 +1 2 1 3
C 2.12765381 +0 107.2517697 +0 -119.9956746 +1 2 1 3
XX 1.00000000 +0 127.2119980 +0 -37.2857368 +1 3 2 1
XX 1.00000000 +0 127.2119980 +0 -20.4945527 +1 4 2 1
XX 1.00000000 +0 127.2119980 +0 -34.6283565 +1 5 2 1
H 1.09059010 +1 111.1978376 +1 176.9756597 +1 3 2 1
H 1.09059010 +0 27.2780977 +1 62.3625390 +1 3 6 2
H 1.09059010 +0 80.1772161 +1 -110.0652513 +1 3 6 2
H 1.09059010 +0 111.1721071 +1 -177.5104883 +1 4 2 1
H 1.09059010 +0 35.6005391 +1 74.7011089 +1 4 7 2
H 1.09059010 +0 71.6205169 +1 -103.8825223 +1 4 7 2
H 1.09059010 +0 111.1800690 +1 178.4935313 +1 5 2 1
H 1.09059010 +0 28.0716759 +1 63.8763336 +1 5 8 2
H 1.09059010 +0 79.3287704 +1 -109.4385620 +1 5 8 2