(4-Amino-1,2,5-Oxadiazol-3-Yl)(Phenyl)Methanone

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Properties Simple | Detailed

Formula C9H7N3O2
IUPAC Name (4-amino-1,2,5-oxadiazol-3-yl)-phenyl-methanone
Molecular Mass 189.171 g·mol−1
Heat of Formation 181.7 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 207.49 Å 3
Surface Area 203.59 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 1.63 ± eV
Point Group Symmetry Cs
Synonyms
  • (4-amino-1,2,5-oxadiazol-3-yl)-phenylmethanone
  • (4-amino-furazan-3-yl)-phenyl-methanone
  • (4-aminofurazan-3-yl)-phenyl-methanone
  • 4-benzoyl-3-furazanamine
  • zero/005361
CAS Number(s)
  • 38924-53-7
InChIKey FSUWRFXTSWSYPV-UHFFFAOYSA-N
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