{4-[(2-Ethyl-5,7-Dimethyl-3H-Imidazo[4,5-B]Pyridin-3-Yl)Methyl]-2,6-Dipropylphenoxy}(Phenyl)Acetic Acid

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Properties Simple | Detailed

Formula C31H37N3O3
IUPAC Name (2r)-2-[4-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ium-2-ylium-3-yl)methyl]-2,6-dipropyl-phenoxy]-2-phenyl-acetic acid
Molecular Mass 499.644 g·mol−1
Heat of Formation -375.9 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 643.97 Å 3
Surface Area 499.93 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
InChIKey OOYQGDVIRBFSHS-GDLZYMKVSA-N
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