1-(2,3-Dihydro-1,4-Benzodioxin-2-Ylmethyl)-5-(Diphenylacetyl)-4,5,6,7-Tetrahydro-1H-Imidazo[4,5-C]Pyridine-6-Carboxylic Acid

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Formula C30H28N3O5
IUPAC Name (6r)-1-[[(3r)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4h-imidazo[4,5-c]pyridin-3-ium-7a-ide-6-carboxylic acid
Molecular Mass 510.560 g·mol−1
Heat of Formation -395.7 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 588.75 Å 3
Surface Area 461.37 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.86 ± eV
Point Group Symmetry C1
InChIKey ICFNCUVQGPNFBW-WIOPSUGQSA-N
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