1-(2-Bromo-4,5-Dimethoxybenzyl)-6,7-Dimethoxy-3,4-Dihydroisoquinoline

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Properties Simple | Detailed

Formula C20H22BrNO4
IUPAC Name 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
Molecular Mass 420.297 g·mol−1
Heat of Formation -381.1 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 438.21 Å 3
Surface Area 377.75 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • 1-((2-bromo-4,5-dimethoxyphenyl)methyl)-3,4-dihydro-6,7-dimethoxyisoquinoline
  • 1-(2-bromo-4,5-dimethoxy-benzyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
  • 1-(6'-bromo-3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
  • 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
  • 6'-bromodihydropapaverine
InChIKey VTMKNFUOXXPXJN-UHFFFAOYSA-N
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Elements H C O Br N