1-Cyclopropyl-4-{4-[(5-Methyl-3-{3-[4-(Trifluoromethoxy)Phenyl]-1,2,4-Oxadiazol-5-Yl}-1H-Pyrazol-1-Yl)Methyl]-2-Pyridinyl}Piperazine

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Properties Simple | Detailed

Formula C26H26F3N7O2
IUPAC Name 5-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridyl]methyl]-5-methyl-pyrazol-1-ium-2-id-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
Molecular Mass 525.526 g·mol−1
Heat of Formation -185.8 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 606.89 Å 3
Surface Area 486.14 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
InChIKey CDJNNOJINJAXPV-UHFFFAOYSA-N
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