(S)-1-(3,5-Dimethoxyphenyl)-3,4-Dihydro-6,7-Dimethoxy-3-Isoquinolinemethanol

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Properties Simple | Detailed

Formula C20H23NO5
IUPAC Name [(3s)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol
Molecular Mass 357.400 g·mol−1
Heat of Formation -594.8 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 419.78 Å 3
Surface Area 370.85 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 3-isoquinolinemethanol, 1-(3,5-dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-, (s)-
  • 6,7-dimethoxy-1-(3,4-dimethoxyphenyl)-3-hydroxymethyl-3,4-dihydroisoquinoline
  • [(3s)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol
  • sdz isq 844
  • sdz-isq-844
CAS Number(s)
  • 143526-87-8
InChIKey GHBUMWHHZFGRDI-AWEZNQCLSA-N
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