Tretoquinol

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Properties Simple | Detailed

Formula C19H23NO5
IUPAC Name (1s)-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Molecular Mass 345.390 g·mol−1
Heat of Formation -655.2 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 406.83 Å 3
Surface Area 325.13 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
  • (1s)-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
  • (1s)-1-{[3,4,5-tris(methyloxy)phenyl]methyl}-1,2,3,4-tetrahydroisoquinoline-6,7-diol
  • 1,2,3,4-tetrahydro-1-(3,4,5-trimethoxybenzyl)-6,7-isoquinolinediol
  • pdsp1_000589
  • pdsp2_000586
  • tretochinolo
CAS Number(s)
  • 30418-38-3
InChIKey RGVPOXRFEPSFGH-AWEZNQCLSA-N
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