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

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Formula C23H22N2O4
IUPAC Name [(3r,4r,4ar,7s,7ar,12bs)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl] pyridine-3-carboxylate
Molecular Mass 390.432 g·mol−1
Heat of Formation -311.8 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 440.13 Å 3
Surface Area 364.07 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
InChIKey RPXDXNICIYHIEN-NNVHCVSOSA-N
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