2-Bromo-N-[(5β,9Alpha)-3-Hydroxy-17-Methyl-6-Oxo-4,5-Epoxymorphinan-14-Yl]Acetamide

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Properties Simple | Detailed

Formula C19H21BrN2O4
IUPAC Name n-[(4r,4ar,7as,12br)-9-hydroxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-2-bromo-acetamide
Molecular Mass 421.285 g·mol−1
Heat of Formation -454.2 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 418.87 Å 3
Surface Area 328.19 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
InChIKey GASWSISFZKIKGN-BPQTVZERSA-N
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Elements H C O Br N