Formula |
C19H19FN4O4 |
IUPAC Name |
5-[(1s)-1-(3-fluoro-4-methoxy-phenyl)-2-(2-methoxy-5-nitro-phenyl)ethyl]-1h-imidazol-3-ium-5-id-2-amine |
Molecular Mass |
386.377 g·mol−1 |
Heat of Formation |
-248.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.31 ± 1.08 D |
Volume |
442.47 Å 3 |
Surface Area |
356.92 Å 2 |
HOMO Energy |
-9.04 ± 0.55 eV |
LUMO Energy |
1.93 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RFLOFHKRBGKCOB-AWEZNQCLSA-N |
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Elements |
H
C
N
O
F
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