(4Bs,7R,8Ar)-4B-Benzyl-7-Hydroxy-7-(1-Propyn-1-Yl)-N-(3-Pyridinylmethyl)-4B,5,6,7,8,8A,9,10-Octahydro-2-Phenanthrenecarboxamide

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Formula C31H32N2O2
IUPAC Name (4bs,7r,8ar)-4b-benzyl-7-hydroxy-7-prop-1-ynyl-n-(3-pyridylmethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide
Molecular Mass 464.598 g·mol−1
Heat of Formation 42.6 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 579.77 Å 3
Surface Area 468.25 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
InChIKey SEOPOTXFVGEDGX-UPHHSBJESA-N
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