Carbon Dioxide; 5-[[2-Ethynyl-5-Oxo-3-(Oxomethylene)-7H-Cyclopenta[B]Pyrazine-1,4-Diium-6-Ylidene]Methylene]-2-Methyl-3-(Oxomethylene)Quinoxaline-1,4-Diium-6-One

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Properties Simple | Detailed

Formula C25H16N4O6
IUPAC Name 4-[(2r)-4,6-dioxo-1,2,3,10-tetrahydrophenazin-2-yl]-6-hydroxy-3-oxo-5h-phenazine-1-carboxylic acid
Molecular Mass 468.418 g·mol−1
Heat of Formation -371.8 ± 16.7 kJ·mol−1
Dipole Moment 11.38 ± 1.08 D
Volume 495.01 Å 3
Surface Area 426.7 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -2.65 ± eV
Point Group Symmetry C1
InChIKey KPIOKQUOZWZAAB-SNVBAGLBSA-N
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