[4-(2-Chloro-4-Nitrophenyl)-1-Piperazinyl][3-(2-Chloro-3-Pyridinyl)-5-Methyl-1,2-Oxazol-4-Yl]Methanone

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Properties Simple | Detailed

Formula C20H17Cl2N5O4
IUPAC Name [4-(2-chloro-4-nitro-phenyl)piperazin-1-yl]-[3-(2-chloro-3-pyridyl)-5-methyl-isoxazol-4-yl]methanone
Molecular Mass 462.286 g·mol−1
Heat of Formation 62.1 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 494.74 Å 3
Surface Area 400.15 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 1.53 ± eV
Point Group Symmetry C1
InChIKey OVZFTYKFOMVVNQ-UHFFFAOYSA-N
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Elements H C Cl O N