3-{5-[3-Ethyl-5-(5-Methyl-2-Furyl)-1H-Pyrazol-1-Yl]-1-[(6-Oxo-1,6-Dihydro-3-Pyridinyl)Methyl]-1H-Benzimidazol-2-Yl}-4-Hydroxybenzoic Acid

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Properties Simple | Detailed

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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