(3R,4As,13Br)-3-(2-Methyl-2-Propanyl)-2,3,4,4A,8,9,13B,14-Octahydro-1H-Benzo[6,7]Cyclohepta[1,2,3-De]Pyrido[2,1-A]Isoquinolin-3-Ol

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Formula C25H31NO
IUPAC Name (3r,4ar,13br)-3-(2-methyl-2-propanyl)-2,3,4,4a,8,9,13b,14-octahydro-1h-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol
Molecular Mass 361.520 g·mol−1
Heat of Formation -112.9 ± 16.7 kJ·mol−1
Dipole Moment 1.61 ± 1.08 D
Volume 457.19 Å 3
Surface Area 361.12 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 0.48 ± eV
Point Group Symmetry C1
InChIKey ZZJYIKPMDIWRSN-SLSDLSHTSA-N
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