1-[5-(4-Methoxy-2-Methylphenyl)-1H-Pyrazol-3-Yl]-3-[1-(4-Methylphenyl)-3-(2-Methyl-2-Propanyl)-1H-Pyrazol-5-Yl]Urea

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Properties Simple | Detailed

Formula C26H30N6O2
IUPAC Name 1-[5-tert-butyl-2-(p-tolyl)pyrazol-2-ium-3-ylium-3-yl]-3-[5-(4-methoxy-2-methyl-phenyl)pyrazol-2-ium-1-id-3-yl]urea
Molecular Mass 458.555 g·mol−1
Heat of Formation 140.0 ± 16.7 kJ·mol−1
Dipole Moment 5.77 ± 1.08 D
Volume 557.87 Å 3
Surface Area 497.7 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
InChIKey LATBWIWKSPOPNK-UHFFFAOYSA-N
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