Formula |
C19H18FN5O |
IUPAC Name |
5-[1-(2-fluoro-3-pyridyl)-5-methyl-3-aza-1-azonia-2-azanidacyclopenta-3,5-dien-4-yl]-2-propyl-isoindolin-1-one |
Molecular Mass |
350.380 g·mol−1 |
Heat of Formation |
127.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.93 ± 1.08 D |
Volume |
404.9 Å 3 |
Surface Area |
358.47 Å 2 |
HOMO Energy |
-9.23 ± 0.55 eV |
LUMO Energy |
-1.42 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
NYDVTBHNZHBCKX-LRFGSCOBSA-N |
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Elements |
H
C
N
O
F
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