Accuracy
ethylmercuric iodide
7957 Ethylmercuric iodide
(Previous)
(Back)
(Next)
Geometry predicted using PM7
ΔHf: 3.3 kcal/mol, REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
Dipole: 3.0 Debye, REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
PM7
Ethylmercuric iodide
H=3.3 D=3.04 HR=WEPS1982 DR=MCC1974
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.52398063 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.09724166 +1 113.1600650 +1 0.0000000 +0 2 1 0
H 1.09739758 +1 113.1040264 +1 122.6187286 +1 2 1 3
H 1.10027203 +1 110.1246260 +1 -118.7636663 +1 2 1 3
H 1.10943741 +1 109.5070281 +1 61.4159702 +1 1 2 3
H 1.10945193 +1 109.4978245 +1 177.0928740 +1 1 2 3
Hg 2.07000791 +1 113.8901731 +1 -60.7607903 +1 1 2 3
I 2.58104779 +1 178.1960119 +1 0.7135586 +1 8 1 2