(6Z)-4-Methyl-6-(5-Phenyl-1,2-Dihydro-3H-Pyrazol-3-Ylidene)-2,4-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C16H14N2O
IUPAC Name (6z)-4-methyl-6-(5-phenylpyrazole-1,2-diium-3-ylidene)cyclohexa-2,4-dien-1-one
Molecular Mass 250.295 g·mol−1
Heat of Formation 231.2 ± 16.7 kJ·mol−1
Dipole Moment 6.78 ± 1.08 D
Volume 299.88 Å 3
Surface Area 282.46 Å 2
HOMO Energy -7.87 ± 0.55 eV
LUMO Energy 1.74 ± eV
Point Group Symmetry C1
Synonyms
  • (6z)-4-methyl-6-(5-phenyl-1,2-dihydropyrazol-3-ylidene)-1-cyclohexa-2,4-dienone
  • (6z)-4-methyl-6-(5-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
  • 4-methyl-2-(5-phenyl-1h-pyrazol-3-yl)-phenol
  • 4-methyl-6-(5-phenyl-1,2-dihydropyrazol-3-ylidene)-1-cyclohexa-2,4-dienone
  • 4-methyl-6-(5-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
  • bas 01121812
InChIKey RFDOKDAIYRJYJJ-SQFISAMPSA-N
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