1-{4-[2-(4-{1-[3-(Trifluoromethyl)-7,8-Dihydro[1,2,4]Triazolo[4,3-B]Pyridazin-6-Yl]-4-Piperidinyl}Phenoxy)Ethyl]-1-Piperazinyl}Ethanone

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Properties Simple | Detailed

Formula C25H32F3N7O2
IUPAC Name 1-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]ethyl]piperazin-1-yl]ethanone
Molecular Mass 519.562 g·mol−1
Heat of Formation -566.8 ± 16.7 kJ·mol−1
Dipole Moment 9.42 ± 1.08 D
Volume 597.83 Å 3
Surface Area 506.3 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
InChIKey JMEYDSHPKCSIJC-UHFFFAOYSA-N
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