5-Methyl-1-(1-{3-[3-(Trifluoromethyl)Phenoxy]Benzyl}-3-Piperidinyl)-2,4(1H,3H)-Pyrimidinedione

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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
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