3-Hydroxy-3-Isopropyl-2,3,4,4A,8,9,13B,14-Octahydro-1H-Benzo[6,7]Cyclohepta[1,2,3-De]Pyrido[2,1-A]Isoquinolinium

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Formula C24H29NO
IUPAC Name 3-hydroxy-3-isopropyl-2,3,4,4a,8,9,13b,14-octahydro-1h-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolinium
Molecular Mass 347.493 g·mol−1
Heat of Formation -88.9 ± 16.7 kJ·mol−1
Dipole Moment 1.59 ± 1.08 D
Volume 435.34 Å 3
Surface Area 349.07 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 0.48 ± eV
Point Group Symmetry C1
InChIKey UPMOVJBGNREKJV-GPXNEJASSA-N
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