1,3-Dimethyl-7-[(5-Methyl-1-Oxa-4-Azonia-2-Azanidacyclopenta-3,4-Dien-3-Yl)Methyl]Purine-3,7-Diium-2,6-Dione

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Properties Simple | Detailed

Formula C11H14N6O3+++
IUPAC Name 1,3-dimethyl-7-[(5-methyl-1-oxa-4-azonia-2-azanidacyclopenta-3,4-dien-3-yl)methyl]purine-3,7-diium-2,6-dione
Molecular Mass 278.267 g·mol−1
Heat of Formation -89.3 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 301.3 Å 3
Surface Area 280.63 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
InChIKey SIPOWWIKQPEBNB-UHFFFAOYSA-P
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