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
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
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Elements | H C O N |