(5α)-14-Ethoxy-3-Hydroxy-17-Methyl-4,5-Epoxymorphinan-6-One

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Properties Simple | Detailed

Formula C19H23NO4
IUPAC Name (3s,4r,4as,7ar,12bs)-4a-ethoxy-9-hydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular Mass 329.390 g·mol−1
Heat of Formation -537.7 ± 16.7 kJ·mol−1
Dipole Moment 6.44 ± 1.08 D
Volume 383.05 Å 3
Surface Area 305.86 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
InChIKey CQJOKEDFXCKMKD-GRGSLBFTSA-N
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