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

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Properties Simple | Detailed

Formula C30H29N7O3
IUPAC Name 1-[5-tert-butyl-2-(p-tolyl)-4h-pyrazol-2-ium-4-id-3-yl]-3-[3-[(6-nitro-4-quinolyl)amino]phenyl]urea
Molecular Mass 535.596 g·mol−1
Heat of Formation 321.7 ± 16.7 kJ·mol−1
Dipole Moment 10.41 ± 1.08 D
Volume 634.5 Å 3
Surface Area 542.34 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
InChIKey CWMPJFRIKZETON-UHFFFAOYSA-N
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