3,4-Dihydro-1(2H)-Isoquinolinone

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Properties Simple | Detailed

Formula C9H9NO
IUPAC Name 3,4-dihydro-2h-isoquinolin-1-one
Molecular Mass 147.174 g·mol−1
Heat of Formation -88.3 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 176.0 Å 3
Surface Area 174.89 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • 1(2h)-isoquinolinone, 3,4-dihydro-
  • 1-keto-1,2,3,4-tetrahydroisoquinoline
  • 1-oxo-1,2,3,4-tetrahydroisoquinoline
  • 3,4-dihydro-2h-isoquinolin-1-one
  • 3,4-dihydroisocarbostyril
  • oprea1_511002
CAS Number(s)
  • 1196-38-9
InChIKey YWPMKTWUFVOFPL-UHFFFAOYSA-N
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