(3S)-7-(1-Hydroxy-8-Methoxy-3-Methyl-2-Naphthyl)-8-Methoxy-1,3-Dimethyl-3,4-Dihydro-6(2H)-Isoquinolinone

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Properties Simple | Detailed

Formula C24H25NO4
IUPAC Name (3s)-7-(1-hydroxy-8-methoxy-3-methyl-2-naphthyl)-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one
Molecular Mass 391.460 g·mol−1
Heat of Formation -464.5 ± 16.7 kJ·mol−1
Dipole Moment 9.70 ± 1.08 D
Volume 467.0 Å 3
Surface Area 385.94 Å 2
HOMO Energy -7.91 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-7-(1-hydroxy-8-methoxy-3-methyl-2-naphthyl)-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one
  • (3s)-7-(1-hydroxy-8-methoxy-3-methyl-naphthalen-2-yl)-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one
  • (3s)-7-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one
InChIKey LAYHGCPPTKDIMI-ZDUSSCGKSA-N
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