7-Phenyl-1-[5-(2-Pyridinyl)-1,3,4-Oxadiazol-2-Yl]-1-Heptanone

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Properties Simple | Detailed

Formula C20H21N3O2
IUPAC Name 7-phenyl-1-[5-(2-pyridyl)-1,3,4-oxadiazol-2-yl]heptan-1-one
Molecular Mass 335.400 g·mol−1
Heat of Formation 75.5 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 415.72 Å 3
Surface Area 392.09 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 1.45 ± eV
Point Group Symmetry Cs
Synonyms
  • 7-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)heptan-1-one
InChIKey BYQFWIOGPFHXFV-UHFFFAOYSA-N
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