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
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Synonyms
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InChIKey |
KVIVJQWOYSWCCZ-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
F
O
N
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