(1S)-1-(3,4-Dihydroxybenzyl)-2-Methyl-1,2,3,4-Tetrahydro-6,7-Isoquinolinediol

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Properties Simple | Detailed

Formula C17H19NO4
IUPAC Name (1s,2s)-1-[(3,4-dihydroxyphenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinoline-6,7-diol
Molecular Mass 301.337 g·mol−1
Heat of Formation -563.8 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 353.04 Å 3
Surface Area 290.0 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-1-(3,4-dihydroxybenzyl)-2-methyl-3,4-dihydro-1h-isoquinoline-6,7-diol
  • (1s)-1-[(3,4-dihydroxyphenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinoline-6,7-diol
InChIKey VHRSWCTVFBWHKE-ZDUSSCGKSA-N
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