Formula |
C30H25N5O5 |
IUPAC Name |
3-[5-[3-ethyl-5-(5-methyl-2-furyl)-4h-pyrazol-1-ium-4-id-1-yl]-1-[(2-oxo-3h-pyridin-1-ium-3-id-5-yl)methyl]benzimidazol-1-ium-7a-ylium-2-yl]-4-hydroxy-benzoic acid |
Molecular Mass |
535.550 g·mol−1 |
Heat of Formation |
-255.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.08 ± 1.08 D |
Volume |
608.37 Å 3 |
Surface Area |
491.99 Å 2 |
HOMO Energy |
-8.67 ± 0.55 eV |
LUMO Energy |
-1.12 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
URCIOERTSWRWBE-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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