Accuracy
trimethylamine
476 Trimethylamine
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Geometry predicted using PM7
ΔHf: -5.7 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 0.6 Debye, REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 8.5 eV, REF: J. P. Maier, D. W. Turner, J. Chem. Soc., Faraday Trans. 2, 69, 521 (1973).
PM7
Trimethylamine
HR=C&P1970 I=8.54 IR=MT1973 DR=NLM1967 D=0.61 H=-5.67 S=68.62 CP=21.94
C -0.00111107 +1 -0.00642855 +1 0.00014065 +1
N 1.47761690 +1 -0.01163349 +1 0.00950616 +1
C 2.00319727 +1 1.37039039 +1 -0.00255276 +1
H -0.45569314 +1 0.46346017 +1 -0.88346874 +1
H -0.36111315 +1 -1.04696865 +1 0.06635650 +1
H -0.36113500 +1 0.51903664 +1 0.89966119 +1
H 1.63864386 +1 1.89980639 +1 0.89312125 +1
H 3.10318580 +1 1.33320586 +1 0.06829634 +1
H 1.73171267 +1 1.95864776 +1 -0.89045299 +1
C 2.00264000 +1 -0.77312897 +1 -1.14433846 +1
H 1.72983861 +1 -0.36445754 +1 -2.12772422 +1
H 3.10258844 +1 -0.81055526 +1 -1.07515501 +1
H 1.63848686 +1 -1.81180912 +1 -1.08339726 +1