1-[1-(3-Aminophenyl)-3-(2-Methyl-2-Propanyl)-1H-Pyrazol-5-Yl]-3-[4-(4-Quinazolinylamino)Phenyl]Urea

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Formula C28H28N8O
IUPAC Name 1-[2-(3-aminophenyl)-5-tert-butyl-pyrazol-2-ium-5-ylium-3-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea
Molecular Mass 492.575 g·mol−1
Heat of Formation 415.8 ± 16.7 kJ·mol−1
Dipole Moment 7.27 ± 1.08 D
Volume 583.16 Å 3
Surface Area 518.95 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
InChIKey SHTNULLAAVPXRC-UHFFFAOYSA-N
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