17-Methyl-7,8-Didehydro-4,5-Epoxymorphinan-3,6-Diyl Dinicotinate

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Formula C29H25N3O5
IUPAC Name [(4r,4ar,7r,7ar,12bs)-3-methyl-7-(pyridine-3-carbonyloxy)-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] pyridine-3-carboxylate
Molecular Mass 495.526 g·mol−1
Heat of Formation 1123.0 ± 16.7 kJ·mol−1
Dipole Moment 0.75 ± 1.08 D
Volume 554.04 Å 3
Surface Area 449.06 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -2.67 ± eV
Point Group Symmetry C1
InChIKey HNDXBGYRMHRUFN-BXCWWVQCSA-N
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