Formula |
C24H24F3N3O3 |
IUPAC Name |
5-methyl-1-[(1s,3s)-1-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-3-piperidyl]pyrimidin-1-ium-5-ide-2,4-dione |
Molecular Mass |
459.461 g·mol−1 |
Heat of Formation |
-958.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.42 ± 1.08 D |
Volume |
517.82 Å 3 |
Surface Area |
448.93 Å 2 |
HOMO Energy |
-9.28 ± 0.55 eV |
LUMO Energy |
2.11 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OVDFDRSJZJQKLN-IBGZPJMESA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
F
O
N
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