5,8-Dimethyl-1-Phenyl-1,5,6,8-Tetrahydropyrazolo[3,4-E][1,4]Diazepine-4,7-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C14H14N4O2
IUPAC Name 5,8-dimethyl-1-phenyl-6h-pyrazolo[3,4-e][1,4]diazepin-1-ium-2-ide-4,7-dione
Molecular Mass 270.287 g·mol−1
Heat of Formation 14.5 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 312.8 Å 3
Surface Area 274.35 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 1-pdhpdd
  • 1-phenyl-5,8-dimethyl-1,4,5,6,7,8-hexahydropyrazolo(3,4-e)(1,4)diazepin-4,7-dione
  • 5,8-dimethyl-1-phenyl-6h-pyrazolo[4,5-f][1,4]diazepine-4,7-dione
  • 5,8-dimethyl-1-phenyl-6h-pyrazolo[4,5-f][1,4]diazepine-4,7-quinone
  • pyrazolo(3,4-e)(1,4)diazepine-4,7-dione, 1,5,6,8-tetrahydro-5,8-dimethyl-1-phenyl-
CAS Number(s)
  • 126568-00-1
InChIKey FVIAXXYCNHWPPB-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N