1-(3,4-Dihydroxy-5-Nitrophenyl)-3-{4-[3-(Trifluoromethyl)Phenyl]-1-Piperazinyl}-1-Propanone

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Properties Simple | Detailed

Formula C20H20F3N3O5
IUPAC Name 1-(3,4-dihydroxy-5-nitro-phenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
Molecular Mass 439.385 g·mol−1
Heat of Formation -976.1 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 472.91 Å 3
Surface Area 421.62 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 1.15 ± eV
Point Group Symmetry C1
Synonyms
  • bia
InChIKey KVIVJQWOYSWCCZ-UHFFFAOYSA-N
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