Isoquinolone

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Properties Simple | Detailed

Formula C9H7NO
IUPAC Name 2h-isoquinolin-1-one
Molecular Mass 145.158 g·mol−1
Heat of Formation -35.0 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 169.28 Å 3
Surface Area 170.14 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry Cs
Synonyms
  • 1(2h)-isoquinolinone
  • 1(2h)-isoquinolone
  • 2h-isoquinolin-1-one
  • ae-842/31875012
  • isocarbostyril
  • isocarbostyril (van) (8ci)
  • isoquinolin-1(2h)-one
  • oprea1_201307
CAS Number(s)
  • 491-30-5
InChIKey VDBNYAPERZTOOF-UHFFFAOYSA-N
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