5-Fluoro-2-{[(1S)-1-(4-Fluorophenyl)Ethyl]Amino}-6-[(5-Methyl-1H-Pyrazol-3-Yl)Amino]Nicotinonitrile

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Formula C18H16F2N6
IUPAC Name 5-fluoro-2-[[(1s)-1-(4-fluorophenyl)ethyl]amino]-6-[(5-methylpyrazol-1-ium-2-id-3-yl)amino]pyridine-3-carbonitrile
Molecular Mass 354.357 g·mol−1
Heat of Formation 134.5 ± 16.7 kJ·mol−1
Dipole Moment 7.67 ± 1.08 D
Volume 410.55 Å 3
Surface Area 358.34 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey SUNXHXDJOIXABJ-NSHDSACASA-N
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Elements H C N F