Pibocin B

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Formula C17H21BrN2O
IUPAC Name (6ar,7r,9r,10ar)-5-bromo-4-methoxy-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium
Molecular Mass 349.265 g·mol−1
Heat of Formation 128.1 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 367.55 Å 3
Surface Area 315.28 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
InChIKey ZCNGIHGSYMIIIR-IXPVHAAZSA-N
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Elements H C O Br N