7-Methoxy-1,6-Dimethyl-5,8-Isoquinolinedione

Molecule SVG Image

Properties Simple | Detailed

Formula C12H11NO3
IUPAC Name 7-methoxy-1,6-dimethyl-isoquinoline-5,8-dione
Molecular Mass 217.221 g·mol−1
Heat of Formation -268.9 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 248.3 Å 3
Surface Area 230.25 Å 2
HOMO Energy -10.07 ± 0.55 eV
LUMO Energy -1.84 ± eV
Point Group Symmetry C1
Synonyms
  • 5,8-isoquinolinedione, 7-methoxy-1,6-dimethyl-
  • 7-methoxy-1,6-dimethyl-5,8-dihydroisoquinoline-5,8-dione
  • 7-methoxy-1,6-dimethyl-isoquinoline-5,8-quinone
  • 7-methoxy-1,6-dimethylisoquinoline-5,8-dione
  • mddhq
CAS Number(s)
  • 79664-58-7
InChIKey CYEQNCOGYHCBOC-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N