4-{2-[(1S)-1-({[Trans-4-(Aminomethyl)Cyclohexyl]Carbonyl}Amino)-2-Phenylethyl]-1H-Imidazol-4-Yl}Benzamide

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Formula C26H31N5O2
IUPAC Name 4-[2-[(1s)-1-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-phenyl-ethyl]imidazol-1-ium-3-id-4-yl]benzamide
Molecular Mass 445.557 g·mol−1
Heat of Formation -162.9 ± 16.7 kJ·mol−1
Dipole Moment 8.38 ± 1.08 D
Volume 552.59 Å 3
Surface Area 461.78 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
InChIKey UXCQKLRVLBOFGG-NYVOZVTQSA-N
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