PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ethylamine
466 Ethylamine
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ΔHf: -11.4 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.2 Debye, REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 9.5 eV, REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
GEO-OK PM7
Ethylamine
DR=NLM1967 HR=C&P1970 D=1.22 H=-11.4 I=9.5 IR=LLNBS82 S=67.83 CP=17.09
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53530961 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.47562100 +1 113.8814666 +1 0.0000000 +0 2 1 0
H 1.11265003 +1 110.2985094 +1 121.4474372 +1 2 1 3
H 1.11263375 +1 110.2915618 +1 -121.4414960 +1 2 1 3
H 1.09468869 +1 111.6116007 +1 60.3902329 +1 1 2 3
H 1.09555718 +1 111.0006679 +1 -179.9367812 +1 1 2 3
H 1.09470158 +1 111.6202050 +1 -60.2538150 +1 1 2 3
H 1.00632895 +1 111.8368546 +1 -61.0423995 +1 3 2 1
H 1.00634294 +1 111.8421469 +1 60.9336944 +1 3 2 1