1-(3,4-Dihydroxy-5-Nitro-Phenyl)-3-[4-[3-(Trifluoromethyl)Phenyl]Piperazin-1-Yl]Propan-1-One

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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 -975.2 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 471.69 Å 3
Surface Area 419.79 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.87 ± eV
Point Group Symmetry C1
InChIKey YGDYTGNDYHQIAP-UHFFFAOYSA-N
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