N-(2-Iminoethyl)-3-Methyl-Nalpha-{[1-Methyl-3-(2-Methyl-2-Propanyl)-1H-Pyrazol-5-Yl]Carbonyl}-L-Phenylalaninamide

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Formula C21H29N5O2
IUPAC Name 5-tert-butyl-n-[(1s)-2-(2-iminoethylamino)-1-(m-tolylmethyl)-2-oxo-ethyl]-2-methyl-pyrazole-3-carboxamide
Molecular Mass 383.487 g·mol−1
Heat of Formation -157.4 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 493.01 Å 3
Surface Area 427.72 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
InChIKey TVOGNNSPACVESK-QPCOYWRUSA-N
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