4-[(3,5-Diiodo-4-Oxo-Pyridin-1-Ium-3-Id-1-Yl)Methyl]Benzoic Acid

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Formula C13H20I2NO3+
IUPAC Name 4-[[(3s,5r)-3,5-diiodo-4-oxo-piperidin-1-ium-1-yl]methyl]cyclohexanecarboxylic acid
Molecular Mass 492.112 g·mol−1
Heat of Formation -138.4 ± 16.7 kJ·mol−1
Dipole Moment 8.41 ± 1.08 D
Volume 349.29 Å 3
Surface Area 314.03 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 1.61 ± eV
Point Group Symmetry C1
InChIKey BFKHFCKEXNUVHM-UHFFFAOYSA-O
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