Accuracy
n,n-dimethylglycine methyl ester
1236 N,N-Dimethylglycine methyl ester
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Geometry predicted using PM7
ΔHf: -88.5 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.
PM7
N,N-Dimethylglycine methyl ester
H=-88.53 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.42356312 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.35671724 +1 116.1370944 +1 0.0000000 +0 2 1 0
C 1.51719599 +1 108.8570447 +1 179.6857139 +1 3 2 1
N 1.47897585 +1 107.1752211 +1 -117.2921787 +1 4 3 2
C 1.47699435 +1 111.4496745 +1 -78.3788216 +1 5 4 3
O 1.20169701 +1 122.8220250 +1 177.3073968 +1 3 2 4
C 1.47826097 +1 110.5008421 +1 -123.5875162 +1 5 4 6
H 1.09514138 +1 110.2478540 +1 61.4362962 +1 1 2 3
H 1.09573660 +1 110.1039323 +1 -121.9700207 +1 1 2 9
H 1.09588327 +1 103.1260988 +1 -118.8764062 +1 1 2 10
H 1.11649227 +1 109.8461108 +1 119.1353202 +1 4 3 5
H 1.11306126 +1 108.7695356 +1 116.7463444 +1 4 3 12
H 1.09896559 +1 114.7442453 +1 -65.7767819 +1 6 5 4
H 1.10702761 +1 109.4413160 +1 122.1059494 +1 6 5 14
H 1.10326175 +1 108.4890655 +1 116.0417785 +1 6 5 15
H 1.09942053 +1 114.7183830 +1 60.9185281 +1 8 5 4
H 1.10311986 +1 109.2207749 +1 -122.5427154 +1 8 5 17
H 1.10406362 +1 108.5510674 +1 -116.0601030 +1 8 5 18