3-Hydroxy-5-(2-Phenylethyl)-2(1H)-Pyridinone

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Properties Simple | Detailed

Formula C13H13NO2
IUPAC Name 3-hydroxy-5-(2-phenylethyl)pyridin-1-ium-3-ylium-2-one
Molecular Mass 215.248 g·mol−1
Heat of Formation -212.0 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 266.09 Å 3
Surface Area 250.65 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
InChIKey XUXZMSAUXVFNPQ-UHFFFAOYSA-O
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