[4-(2-Chloro-4-Nitro-Phenyl)Piperazin-1-Yl]-[3-(2-Methoxyphenyl)-5-Methyl-Isoxazol-4-Yl]Methanone

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Formula C22H21ClN4O5
IUPAC Name [4-(2-chloro-4-nitro-phenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyl-isoxazol-4-yl]methanone
Molecular Mass 456.879 g·mol−1
Heat of Formation -125.5 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 504.62 Å 3
Surface Area 389.6 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
InChIKey HDTGCBVKOIDJCA-UHFFFAOYSA-N
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