1-Benzyl-7-Hydroxy-3,4-Dihydro-6(2H)-Isoquinolinone

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Properties Simple | Detailed

Formula C16H15NO2
IUPAC Name 1-benzyl-7-hydroxy-3,4-dihydro-2h-isoquinolin-6-one
Molecular Mass 253.296 g·mol−1
Heat of Formation -87.7 ± 16.7 kJ·mol−1
Dipole Moment 9.27 ± 1.08 D
Volume 303.12 Å 3
Surface Area 273.85 Å 2
HOMO Energy -7.95 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(benzyl)-7-hydroxy-3,4-dihydro-2h-isoquinolin-6-one
  • 1-benzyl-3,4-dihydro-6,7-isoquinolinediol
  • 3',4'-desoxy-3,4-dihydropapaveroline
  • 3,4-dihydroisoquinolin, 1-benzyl-6,7-dihydroxy-
  • 6,7-isoquinolinediol, 3,4-dihydro-1-(phenylmethyl)-
  • 7-hydroxy-1-(phenylmethyl)-3,4-dihydro-2h-isoquinolin-6-one
  • desdhp
CAS Number(s)
  • 17578-74-4
InChIKey YGWNTFZSAMFZFY-UHFFFAOYSA-N
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