5-[(2R)-2-Hydroxy-2-Phenylacetyl]-3-{[4-(4-Methyl-1-Piperazinyl)Benzoyl]Amino}-1,6-Dihydropyrrolo[3,4-C]Pyrazol-5-Ium

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Formula C25H27N6O3
IUPAC Name 5-[(2r)-2-hydroxy-2-phenylacetyl]-3-{[4-(4-methyl-1-piperazinyl)benzoyl]amino}-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium
Molecular Mass 459.520 g·mol−1
Heat of Formation 3860.8 ± 16.7 kJ·mol−1
Dipole Moment 35.81 ± 1.08 D
Volume 429.84 Å 3
Surface Area 399.35 Å 2
HOMO Energy -6.03 ± 0.55 eV
LUMO Energy -5.04 ± eV
Point Group Symmetry C1
InChIKey FCLFBDYOCRVSHV-UHFFFAOYSA-O
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