N-(4-Fluorobenzyl)-2,3-Dihydroxy-1-Oxo-1,2-Dihydro-4-Isoquinolinecarboxamide

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Properties Simple | Detailed

Formula C17H13FN2O4+
IUPAC Name n-[(4-fluorophenyl)methyl]-2,3-dihydroxy-1-oxo-isoquinolin-2-ium-4-carboxamide
Molecular Mass 328.295 g·mol−1
Heat of Formation -518.0 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 357.03 Å 3
Surface Area 321.79 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
InChIKey KKAHXTQWSHRJRB-UHFFFAOYSA-N
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