1-{4-[(6-Amino-4-Quinolinyl)Amino]Phenyl}-3-[1-(3-Methylphenyl)-3-(2-Methyl-2-Propanyl)-1H-Pyrazol-5-Yl]Urea

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Formula C30H31N7O
IUPAC Name 1-[4-[(6-amino-4-quinolyl)amino]phenyl]-3-[5-tert-butyl-2-(m-tolyl)pyrazol-2-ium-1-id-3-yl]urea
Molecular Mass 505.613 g·mol−1
Heat of Formation 349.6 ± 16.7 kJ·mol−1
Dipole Moment 8.64 ± 1.08 D
Volume 611.87 Å 3
Surface Area 539.43 Å 2
HOMO Energy -8.03 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
InChIKey MKHUGLZLKVCOGF-UHFFFAOYSA-N
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