PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
methyl n,n-,a,a-tetramethylglycinate
1258 Methyl N,N-,a,a-tetramethylglycinate
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# | Species | Formula |
1248 | Isoleucine | C6H13NO2 | |
1249 | Leucine | C6H13NO2 | |
1250 | Methyl N,N-dimethylalaninate | C6H13NO2 | |
1251 | N,N-Dimethylacetamide dimethyl acetal | C6H15NO2 | |
1252 | m-Aminobenzoic acid | C7H7NO2 | |
1253 | o-Aminobenzoic acid | C7H7NO2 | |
1254 | p-Aminobenzoic acid | C7H7NO2 | |
1255 | p-Nitrotoluene | C7H7NO2 | |
1256 | Phenylnitromethane | C7H7NO2 | |
1257 | Salicylaldoxime (Geo) | C7H7NO2 | |
1258 | Methyl N,N-,a,a-tetramethylglycinate | C7H15NO2 | |
1259 | 2,6-Dimethylnitrobenzene | C8H9NO2 | |
1260 | 2-Amino-2-phenylacetic acid | C8H9NO2 | |
1261 | 2-Nitro-m-xylene | C8H9NO2 | |
1262 | N-Phenylglycine | C8H9NO2 | |
1263 | 8-Aminocaprylic acid | C8H17NO2 | |
1264 | 2-Methyl-1H-isoindole-1,3(2H)-dione | C9H7NO2 | |
1265 | Nitromesitylene | C9H11NO2 | |
1266 | Phenylalanine | C9H11NO2 | |
1267 | Phenylalanine Ca-Cb-Cc should be 113.6 (Geo) | C9H11NO2 | |
1268 | 2,2,6,6-Tetramethyl-4-oxo-1-piperidinyloxy | C9H16NO2 | |
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ΔHf: -108.1 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
Methyl N,N-,a,a-tetramethylglycinate
H=-108.1 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.54175775 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.20030796 +1 127.4120980 +1 0.0000000 +0 2 1 0
O 1.35959974 +1 110.5280818 +1 178.0275485 +1 2 1 3
N 1.48275792 +1 105.0849501 +1 95.1808142 +1 1 2 3
C 1.47854092 +1 113.3393637 +1 73.8418772 +1 5 1 2
C 1.47870838 +1 112.9816093 +1 125.4582624 +1 5 1 6
C 1.42352441 +1 116.0640698 +1 179.1162292 +1 4 2 1
C 1.53633430 +1 109.8051153 +1 124.9305622 +1 1 2 5
C 1.53889722 +1 105.3993194 +1 117.6031243 +1 1 2 9
H 1.10326451 +1 110.3502210 +1 -51.3959872 +1 6 5 1
H 1.09948357 +1 114.5637554 +1 122.5434457 +1 6 5 11
H 1.10420352 +1 108.0572942 +1 121.2065678 +1 6 5 12
H 1.09951130 +1 114.4092761 +1 -53.4887618 +1 7 5 1
H 1.10343856 +1 109.0750336 +1 122.3625086 +1 7 5 14
H 1.10315591 +1 109.2227994 +1 115.9993282 +1 7 5 15
H 1.09538196 +1 109.9501540 +1 -62.2974178 +1 8 4 2
H 1.09527563 +1 110.2128459 +1 121.8740767 +1 8 4 17
H 1.09559333 +1 103.0678890 +1 119.0812524 +1 8 4 18
H 1.09512289 +1 111.0738414 +1 -178.1648574 +1 9 1 2
H 1.09746162 +1 112.0997750 +1 120.4980334 +1 9 1 20
H 1.09600184 +1 111.3671910 +1 119.4835791 +1 9 1 21
H 1.10129192 +1 110.7732697 +1 66.0552585 +1 10 1 2
H 1.09353997 +1 112.0967975 +1 121.3479957 +1 10 1 23
H 1.09741519 +1 111.0694703 +1 120.4862807 +1 10 1 24