3-{3-[{[(7R)-3,4-Dimethoxybicyclo[4.2.0]Octa-1,3,5-Trien-7-Yl]Methyl}(Methyl)Amino]Propyl}-7,8-Dimethoxy-1,3,4,5-Tetrahydro-2H-3-Benzazepin-2-One

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Properties Simple | Detailed

Formula C27H36N2O5
IUPAC Name 3-[3-[[(7r)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1h-3-benzazepin-4-one
Molecular Mass 468.585 g·mol−1
Heat of Formation -581.7 ± 16.7 kJ·mol−1
Dipole Moment 5.60 ± 1.08 D
Volume 574.36 Å 3
Surface Area 394.62 Å 2
HOMO Energy -7.87 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[3-[[(8r)-3,4-dimethoxy-8-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1h-3-benzazepin-4-one
  • 3-[3-[[(8r)-3,4-dimethoxy-8-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1h-3-benzazepin-4-one
InChIKey ACRHBAYQBXXRTO-NRFANRHFSA-N
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