Formula |
C17H19FN6 |
IUPAC Name |
n-[2-(3-fluorophenyl)ethyl]-n'-[2-(2h-imidazol-1-ium-2-ylium-1-yl)pyrimidin-4-yl]ethane-1,2-diamine |
Molecular Mass |
326.371 g·mol−1 |
Heat of Formation |
220.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.78 ± 1.08 D |
Volume |
393.0 Å 3 |
Surface Area |
370.46 Å 2 |
HOMO Energy |
-9.36 ± 0.55 eV |
LUMO Energy |
2.19 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YCRYBRYYCUMKOD-UHFFFAOYSA-N |
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Elements |
H
C
F
N
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