2-[3-(3,5-Ditert-Butyl-4-Oxo-Cyclohexa-2,5-Dien-1-Ylidene)-5H-Pyrazolo[3,4-B]Pyridine-1,2,7-Triium-5-Id-1-Yl]Ethyl Acetate

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Properties Simple | Detailed

Formula C24H32N3O3
IUPAC Name 2-[3-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-5h-pyrazolo[3,4-b]pyridine-1,2,7-triium-5-id-1-yl]ethyl acetate
Molecular Mass 410.529 g·mol−1
Heat of Formation -292.5 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 519.44 Å 3
Surface Area 404.05 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
InChIKey JSBPEWQYAACXQE-UHFFFAOYSA-O
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