3-({(3R)-1-[2-(3,4-Dimethoxyphenyl)Ethyl]-3-Piperidinyl}Methyl)-7,8-Dimethoxy-1,3,4,5-Tetrahydro-2H-3-Benzazepin-2-One

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Formula C28H38N2O5
IUPAC Name methanone; 3-[[(1r,3r)-1-(2-phenylethyl)-3-piperidyl]methyl]-2,5,7,8-tetrahydro-1h-3-benzazepine-7,8-diid-4-one
Molecular Mass 482.612 g·mol−1
Heat of Formation -673.7 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 596.34 Å 3
Surface Area 512.16 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy 3.10 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[(3r)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidinyl]methyl]-7,8-dimethoxy-2,5-dihydro-1h-3-benzazepin-4-one
  • 3-[[(3r)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidyl]methyl]-7,8-dimethoxy-2,5-dihydro-1h-3-benzazepin-4-one
  • 3-[[(3r)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1h-3-benzazepin-4-one
InChIKey OBUFMJDDZTXJPY-OAQYLSRUSA-N
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