1-[(2-Amino-4-Pyridyl)Methyl]-5-Chloro-3-(2-Oxo-1H-Pyridin-3-Yl)Indole-2-Carboxylic Acid

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Formula C20H15ClN4O3
IUPAC Name 1-[(2-amino-4-pyridyl)methyl]-5-chloro-3-(2-oxo-3-pyridyl)-6h-indol-1-ium-6-ide-2-carboxylic acid
Molecular Mass 394.811 g·mol−1
Heat of Formation -180.9 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 428.81 Å 3
Surface Area 365.15 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
InChIKey XPHRQEMVNFKEIN-UHFFFAOYSA-N
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