Brucine N-Oxide

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Formula C23H27N2O5+
IUPAC Name (4ar,5as,6r,8as,13as,15as,15br)-10,11-dimethoxy-6-oxido-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2h-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-6-ium-14-one
Molecular Mass 411.471 g·mol−1
Heat of Formation -437.4 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 456.47 Å 3
Surface Area 362.57 Å 2
HOMO Energy -8.08 ± 0.55 eV
LUMO Energy 3.08 ± eV
Point Group Symmetry C1
InChIKey HHHQMKWPZAYIAE-WAIXHZNCSA-N
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