(5Z)-5-(3-Chloro-4-Hydroxy-6-Oxo-2,4-Cyclohexadien-1-Ylidene)-N-Ethyl-4-(4-Methoxyphenyl)-2,5-Dihydro-1H-Pyrazole-3-Carboxamide

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Properties Simple | Detailed

Formula C19H18ClN3O4
IUPAC Name (5z)-5-(3-chloro-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-n-ethyl-4-(4-methoxyphenyl)pyrazole-1,2-diium-3-carboxamide
Molecular Mass 387.817 g·mol−1
Heat of Formation -309.5 ± 16.7 kJ·mol−1
Dipole Moment 8.08 ± 1.08 D
Volume 431.06 Å 3
Surface Area 368.65 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • (5z)-5-(3-chloro-4-hydroxy-6-keto-1-cyclohexa-2,4-dienylidene)-n-ethyl-4-(4-methoxyphenyl)-1,2-dihydropyrazole-3-carboxamide
  • (5z)-5-(3-chloro-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-n-ethyl-4-(4-methoxyphenyl)-1,2-dihydropyrazole-3-carboxamide
  • 5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)-1h-pyrazole-3-carboxamide
  • bsm
InChIKey OLVDDJOCKKMKPE-ATVHPVEESA-N
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