1,3(2H,4H)-Isoquinolinedione

Molecule SVG Image

Properties Simple | Detailed

Formula C9H7NO2
IUPAC Name 4h-isoquinoline-1,3-dione
Molecular Mass 161.157 g·mol−1
Heat of Formation -267.1 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 180.05 Å 3
Surface Area 179.1 Å 2
HOMO Energy -10.31 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2,3,4-tetrahydro-1,3-dioxoisoquinoline
  • 4h-isoquinoline-1,3-dione
  • 4h-isoquinoline-1,3-quinone
  • homophthalimide
CAS Number(s)
  • 4456-77-3
InChIKey QGNQEODJYRGEJX-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N