6-Butyl-4,10-Dioxo-3,5,7,9-Tetrahydro-1H-1,7-Phenanthroline-2,3,4A,5,6,6A,8,9,10A,10B-Decaide-2,8-Dicarboxylic Acid

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Formula C18H28N2O6++
IUPAC Name (2s,4ar,6s,6as,8s,10as,10br)-6-butyl-4,10-dioxo-1,2,3,4a,5,6,6a,7,8,9,10a,10b-dodecahydro-1,7-phenanthroline-1,7-diium-2,8-dicarboxylic acid
Molecular Mass 368.425 g·mol−1
Heat of Formation -917.0 ± 16.7 kJ·mol−1
Dipole Moment 6.64 ± 1.08 D
Volume 391.37 Å 3
Surface Area 347.8 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 1.41 ± eV
Point Group Symmetry C1
InChIKey KJCJRDYNRLDPAS-UHFFFAOYSA-P
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