(1R)-8-Fluoro-1-(3,4,5-Trimethoxybenzyl)-1,2,3,4-Tetrahydro-6,7-Isoquinolinediol

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Formula C19H22FNO5
IUPAC Name (1r)-8-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Molecular Mass 363.380 g·mol−1
Heat of Formation -829.3 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 413.5 Å 3
Surface Area 359.2 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (1r)-8-fluoro-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
  • (1r)-8-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
  • pdsp1_000597
  • pdsp2_000594
InChIKey MKRDKFSQEPQZSX-GFCCVEGCSA-N
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