1-(4-Amino-3-Methylbenzyl)-5-(Diphenylacetyl)-4,5,6,7-Tetrahydro-1H-Imidazo[4,5-C]Pyridine-6-Carboxylic Acid

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Properties Simple | Detailed

Formula C29H29N4O3
IUPAC Name (6s)-1-[(4-amino-3-methyl-phenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4h-imidazo[4,5-c]pyridin-3-ium-7a-ide-6-carboxylic acid
Molecular Mass 481.566 g·mol−1
Heat of Formation -164.0 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 581.72 Å 3
Surface Area 409.27 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 3.07 ± eV
Point Group Symmetry C1
InChIKey KLVDUSUYBDMJKR-AREMUKBSSA-N
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