Formula |
C20H15ClN2O |
IUPAC Name |
(6r,7z)-6-(4-chlorophenyl)-7-(4-pyridylmethylene)-5,6-dihydroindolizin-4-ium-8a-ylium-8-one |
Molecular Mass |
334.799 g·mol−1 |
Heat of Formation |
248.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.82 ± 1.08 D |
Volume |
386.19 Å 3 |
Surface Area |
333.89 Å 2 |
HOMO Energy |
-9.29 ± 0.55 eV |
LUMO Energy |
-0.69 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OMGJLQMHGRFTAP-XUDLPTGHSA-N |
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Links |
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Elements |
H
C
N
O
Cl
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