3-[5-(3,5-Difluorophenyl)-3-{[(3-Fluorocyclopentyl)Amino]Methyl}-4-Methyl-1H-Pyrazol-1-Yl]Propanenitrile

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Formula C19H21F3N4
IUPAC Name 3-[5-(3,5-difluorophenyl)-3-[[[(1r,3r)-3-fluorocyclopentyl]amino]methyl]-4-methyl-pyrazol-1-ium-3-ylium-1-yl]propanenitrile
Molecular Mass 362.392 g·mol−1
Heat of Formation -269.3 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 432.84 Å 3
Surface Area 382.04 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey LJTOZIFFXNLWEQ-RHSMWYFYSA-N
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Elements H C N F