Formula |
C14H16F3N7 |
IUPAC Name |
2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-ium-2-id-1-yl]propanenitrile |
Molecular Mass |
339.319 g·mol−1 |
Heat of Formation |
-258.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.39 ± 1.08 D |
Volume |
383.37 Å 3 |
Surface Area |
335.13 Å 2 |
HOMO Energy |
-8.70 ± 0.55 eV |
LUMO Energy |
2.40 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZPPUMAMZIMPJGP-UHFFFAOYSA-N |
QR Code |
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Elements |
H
C
N
F
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