Accuracy
2-oxo-propanal
902 2-Oxo-propanal
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Geometry predicted using PM7
ΔHf: -64.8 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
2-Oxo-propanal
H=-64.8 HR=NIST
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.20210866 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.52634441 +1 120.1284911 +1 0.0000000 +0 2 1 0
C 1.48793401 +1 115.6950234 +1 -57.2568999 +1 3 2 1
O 1.20222279 +1 119.6952833 +1 -179.6784155 +1 3 2 4
H 1.09450145 +1 123.0159182 +1 179.6478461 +1 2 1 3
H 1.09912448 +1 112.2364528 +1 -60.7177204 +1 4 3 2
H 1.10416717 +1 110.8003987 +1 119.3817685 +1 4 3 7
H 1.10152123 +1 111.9008501 +1 119.7851077 +1 4 3 8