3-[3-(3-Pyridinyl)-1,2,4-Oxadiazol-5-Yl]Benzonitrile

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Properties Simple | Detailed

Formula C14H8N4O
IUPAC Name 3-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]benzonitrile
Molecular Mass 248.240 g·mol−1
Heat of Formation 495.0 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 283.11 Å 3
Surface Area 272.79 Å 2
HOMO Energy -10.07 ± 0.55 eV
LUMO Energy 0.38 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile
InChIKey HGFXDSQLRSWUBO-UHFFFAOYSA-N
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