N-[(1-Methyl-3-Phenyl-1H-Pyrazol-5-Yl)Carbonyl]-3-(2-Naphthyl)-D-Alanine

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Formula C24H21N3O3
IUPAC Name (2r)-2-[(2-methyl-5-phenyl-pyrazol-2-ium-3-ylium-3-carbonyl)amino]-3-(2-naphthyl)propanoic acid
Molecular Mass 399.442 g·mol−1
Heat of Formation -122.6 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 478.11 Å 3
Surface Area 387.58 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey VKQVQSJCBBIJFN-OAQYLSRUSA-N
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