Formula |
C13H13FN4O2 |
IUPAC Name |
(2s,4s)-4-[4-(4-fluorophenyl)-2-aza-1-azonia-3-azanidacyclopenta-1,4-dien-1-yl]pyrrolidine-2-carboxylic acid |
Molecular Mass |
276.266 g·mol−1 |
Heat of Formation |
-205.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.01 ± 1.08 D |
Volume |
309.58 Å 3 |
Surface Area |
280.39 Å 2 |
HOMO Energy |
-9.12 ± 0.55 eV |
LUMO Energy |
-0.85 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZOARAQYNIFGSNI-QWRGUYRKSA-N |
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Elements |
H
C
N
O
F
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