2-(4-Methylphenyl)-5-(2-Methyl-2-Propanyl)-3-[({4-[6-(4-Morpholinylmethyl)-3-Pyridinyl]-1-Naphthyl}Carbamoyl)Amino]-1H-Pyrazol-2-Ium

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Properties Simple | Detailed

Formula C35H39N6O2+
IUPAC Name 1-[5-tert-butyl-2-(p-tolyl)-1h-pyrazol-2-ium-3-yl]-3-[4-[6-(morpholinomethyl)-3-pyridyl]-1-naphthyl]urea
Molecular Mass 575.723 g·mol−1
Heat of Formation 7611.3 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 851.24 Å 3
Surface Area 651.89 Å 2
HOMO Energy -6.67 ± 0.55 eV
LUMO Energy -2.56 ± eV
Point Group Symmetry C1
InChIKey AJSMPUSEUKXNDW-UHFFFAOYSA-O
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