(2R)-2-Methyl-6-Nitro-2-[[4-[4-[4-(Trifluoromethoxy)Phenoxy]-1-Piperidyl]Phenoxy]Methyl]-3,5-Dihydroimidazo[2,1-B]Oxazol-7-Ium-5-Ide

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Properties Simple | Detailed

Formula C25H26F3N4O6
IUPAC Name (2r)-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]-1-piperidyl]phenoxy]methyl]-3,5-dihydroimidazo[2,1-b]oxazol-7-ium-5-ide
Molecular Mass 535.492 g·mol−1
Heat of Formation -912.9 ± 16.7 kJ·mol−1
Dipole Moment 7.27 ± 1.08 D
Volume 584.89 Å 3
Surface Area 511.06 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
InChIKey OAYYGLQZKIVTTQ-XMMPIXPASA-N
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