3,10-Dimethylpyrimido[4,5-B]Quinoline-2,4(3H,10H)-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C13H12N3O2+
IUPAC Name 3,10-dimethylpyrimido[4,5-b]quinolin-10-ium-1-ide-2,4-dione
Molecular Mass 242.253 g·mol−1
Heat of Formation -102.4 ± 16.7 kJ·mol−1
Dipole Moment 7.53 ± 1.08 D
Volume 268.98 Å 3
Surface Area 249.36 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 1.30 ± eV
Point Group Symmetry Cs
Synonyms
  • 3,10-dimethyl-5-deazaisoalloxazine
  • 3,10-dimethylpyrimido[6,5-b]quinoline-2,4-dione
  • 3,10-dimethylpyrimido[6,5-b]quinoline-2,4-quinone
  • dmdaia
  • pyrimido(4,5-b)quinoline-2,4(3h,10h)-dione, 3,10-dimethyl-
CAS Number(s)
  • 38559-35-2
InChIKey AKVQGOMYPNAESS-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N