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

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Formula C15H16N4O2
IUPAC Name 3,5,8-trimethyl-1-phenyl-6h-pyrazolo[3,4-e][1,4]diazepine-4,7-dione
Molecular Mass 284.313 g·mol−1
Heat of Formation -28.9 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 331.75 Å 3
Surface Area 290.82 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 1-phenyl-3,5,8-trimethyl-1,4,5,6,7,8-hexahydropyrazolo(3,4-e)(1,4)diazepin-4,7-dione
  • 1-pthpdd
  • 3,5,8-trimethyl-1-phenyl-6h-pyrazolo[4,5-f][1,4]diazepine-4,7-dione
  • 3,5,8-trimethyl-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-3,5,8-trimethyl-1-phenyl-
CAS Number(s)
  • 126567-68-8
InChIKey GGPMTVNYXSXKOJ-UHFFFAOYSA-N
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