| Formula |
C21H27N7O3 |
| IUPAC Name |
2-[5-[1-ethyl-4-(tetrahydropyran-4-ylamino)-6h-pyrazolo[3,4-b]pyridin-1-ium-6-ylium-5-yl]-1-oxonia-4-aza-2-azanidacyclopenta-3,5-dien-3-yl]-1-pyrrolidin-1-yl-ethanone |
| Molecular Mass |
425.484 g·mol−1 |
| Heat of Formation |
-22.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.22 ± 1.08 D |
| Volume |
499.6 Å 3 |
| Surface Area |
427.94 Å 2 |
| HOMO Energy |
-8.78 ± 0.55 eV |
| LUMO Energy |
2.53 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
LIHATEWFMXRUPF-UHFFFAOYSA-O |
| QR Code |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
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