6-(4-{[3-(3,5-Dichloro-4-Pyridinyl)-5-Isopropyl-1,2-Oxazol-4-Yl]Methoxy}-2-Methylphenyl)-1-Methyl-1H-Indole-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C29H25Cl2N3O4
IUPAC Name 6-[4-[[3-(3,5-dichloro-4-pyridyl)-5-isopropyl-isoxazol-4-yl]methoxy]-2-methyl-phenyl]-1-methyl-indol-1-ium-3a-ide-3-carboxylic acid
Molecular Mass 550.432 g·mol−1
Heat of Formation -240.9 ± 16.7 kJ·mol−1
Dipole Moment 7.87 ± 1.08 D
Volume 625.03 Å 3
Surface Area 519.12 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
InChIKey JTRRVYQZHXAOGI-UHFFFAOYSA-N
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