3-[4-Methoxy-3-(2-Methyl-2-Propanyl)Phenyl]-2(1H)-Pyridinone

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Properties Simple | Detailed

Formula C16H19NO2+
IUPAC Name 3-(3-tert-butyl-4-methoxy-phenyl)pyridin-1-ium-3-id-2-one
Molecular Mass 257.328 g·mol−1
Heat of Formation -250.0 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 324.19 Å 3
Surface Area 287.6 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
InChIKey JFZKILSPVGSTPQ-UHFFFAOYSA-N
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