3-(2H-Tetrazol-5-Yl)-4(3H)-Quinazolinone

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Properties Simple | Detailed

Formula C9H6N6O
IUPAC Name 3-(2h-tetrazol-5-yl)quinazolin-4-one
Molecular Mass 214.184 g·mol−1
Heat of Formation 395.2 ± 16.7 kJ·mol−1
Dipole Moment 1.86 ± 1.08 D
Volume 224.4 Å 3
Surface Area 217.32 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2h-1,2,3,4-tetrazol-5-yl)quinazolin-4-one
  • 3-(2h-tetrazol-5-yl)-4-quinazolinone
InChIKey GPEZBOYWAXXHJE-UHFFFAOYSA-N
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