5-(4,4-Diphenyl-3-Buten-1-Yl)-4,5,6,7-Tetrahydro[1,2]Oxazolo[4,5-C]Pyridin-3(2H)-One

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Formula C22H22N2O2
IUPAC Name (5r)-5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4h-isoxazolo[4,5-c]pyridin-3-one
Molecular Mass 346.422 g·mol−1
Heat of Formation 136.3 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 428.55 Å 3
Surface Area 356.87 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[4,4-di(phenyl)but-3-enyl]-6,7-dihydro-4h-[1,2]oxazolo[4,5-c]pyridin-3-one
  • 5-[4,4-di(phenyl)but-3-enyl]-6,7-dihydro-4h-isoxazolo[4,5-c]pyridin-3-one
  • isoxazolo(4,5-c)pyridin-3(2h)-one, 5-(4,4-diphenyl-3-butenyl)-4,5,6,7-tetrahydro-
  • n-4,4-diphenyl-3-butenyl-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridin-3-ol
  • n-dpb-thpo
CAS Number(s)
  • 132033-96-6
InChIKey QMRMUNWFODMEOB-UHFFFAOYSA-N
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