1-[(3E)-2-(3-Fluorophenyl)-5-(2-Methyl-2-Propanyl)-1,2-Dihydro-3H-Pyrazol-3-Ylidene]-3-[4-(3-Pyridinyloxy)Phenyl]Urea

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Properties Simple | Detailed

Formula C25H24FN5O2
IUPAC Name (1e)-1-[5-tert-butyl-2-(3-fluorophenyl)pyrazole-1,2-diium-3-ylidene]-3-[4-(3-pyridyloxy)phenyl]urea
Molecular Mass 445.489 g·mol−1
Heat of Formation 1.3 ± 16.7 kJ·mol−1
Dipole Moment 8.67 ± 1.08 D
Volume 527.63 Å 3
Surface Area 463.1 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
InChIKey VWGLIDHWYMNSEW-BYNJWEBRSA-N
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