2-{3-[(5E)-5-{[(2,3-Dichlorophenyl)Carbamoyl]Imino}-3-(2-Methyl-2-Propanyl)-2,5-Dihydro-1H-Pyrazol-1-Yl]Phenyl}Acetamide

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Properties Simple | Detailed

Formula C22H23Cl2N5O2
IUPAC Name 2-[3-[(5e)-3-tert-butyl-5-[(2,3-dichlorophenyl)carbamoylimino]pyrazole-1,2-diium-1-yl]phenyl]acetamide
Molecular Mass 460.356 g·mol−1
Heat of Formation -125.9 ± 16.7 kJ·mol−1
Dipole Moment 10.95 ± 1.08 D
Volume 522.22 Å 3
Surface Area 440.2 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey LLLDJNNXZHGRQO-ZXVVBBHZSA-N
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