6-[2-(Hydroxymethyl)Phenyl]-1(2H)-Isoquinolinone

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Formula C16H13NO2+
IUPAC Name 6-[2-(hydroxymethyl)phenyl]isoquinolin-2-ium-1-one
Molecular Mass 251.280 g·mol−1
Heat of Formation -134.2 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 296.15 Å 3
Surface Area 270.62 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 3.31 ± eV
Point Group Symmetry C1
InChIKey UYPQNXCIONEUFC-UHFFFAOYSA-O
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