3-(6-Ethyl-1,3-Benzodioxol-5-Yl)-7,8-Dimethoxy-2-Methyl-1(2H)-Isoquinolinone

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Properties Simple | Detailed

Formula C21H21NO5
IUPAC Name 3-(6-ethyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-2-methyl-isoquinolin-1-one
Molecular Mass 367.395 g·mol−1
Heat of Formation -558.8 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 422.15 Å 3
Surface Area 362.75 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(6-ethyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-2-methyl-1-isoquinolinone
  • 3-(6-ethyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-2-methyl-isocarbostyril
  • 3-(6-ethyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-2-methylisoquinolin-1-one
InChIKey OJIIXHODERBMOC-UHFFFAOYSA-N
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