(5α,6α)-3-Hydroxy-17-Methyl-7,8-Didehydro-4,5-Epoxymorphinan-6-Yl Propionate

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Properties Simple | Detailed

Formula C20H23NO4
IUPAC Name [(4r,4ar,7s,7ar,12bs)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] propanoate
Molecular Mass 341.401 g·mol−1
Heat of Formation -537.1 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 397.06 Å 3
Surface Area 326.96 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
InChIKey GAUGLXKLZPLHFQ-ILIJTDRLSA-N
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