1-{1-[4-(Hydroxymethyl)Phenyl]-3-(2-Methyl-2-Propanyl)-1H-Pyrazol-5-Yl}-3-(1-Naphthyl)Urea

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Formula C25H26N4O2
IUPAC Name 1-[5-tert-butyl-2-[4-(hydroxymethyl)phenyl]-4h-pyrazol-2-ium-4-id-3-yl]-3-(1-naphthyl)urea
Molecular Mass 414.500 g·mol−1
Heat of Formation 44.8 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 502.9 Å 3
Surface Area 446.01 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
InChIKey MKYJHFRHAZBFKJ-UHFFFAOYSA-N
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