1-(3,4-Dimethoxybenzyl)-7-Methoxy-6(2H)-Isoquinolinone

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Properties Simple | Detailed

Formula C19H19NO4
IUPAC Name 1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2h-isoquinolin-6-one
Molecular Mass 325.358 g·mol−1
Heat of Formation -332.9 ± 16.7 kJ·mol−1
Dipole Moment 6.98 ± 1.08 D
Volume 387.68 Å 3
Surface Area 336.31 Å 2
HOMO Energy -7.90 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3,4-dimethoxybenzyl)-7-methoxy-2h-isoquinolin-6-one
  • 1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2h-isoquinolin-6-one
  • 6-hydroxypapaverine
  • 6-isoquinolinol, 1-((3,4-dimethoxyphenyl)methyl)-7-methoxy-
InChIKey HFCUMJQIUKSBPV-UHFFFAOYSA-N
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