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
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