| Formula |
C29H25F3N8O |
| IUPAC Name |
3-[(e)-2-[6-(cyclopropylamino)purine-1,3,7-triium-9-yl]vinyl]-4-methyl-n-[3-(5-methyl-4h-imidazol-1-ium-4-id-3-yl)-5-(trifluoromethyl)phenyl]benzamide |
| Molecular Mass |
558.557 g·mol−1 |
| Heat of Formation |
-105.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
10.40 ± 1.08 D |
| Volume |
635.11 Å 3 |
| Surface Area |
569.01 Å 2 |
| HOMO Energy |
-9.03 ± 0.55 eV |
| LUMO Energy |
1.79 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
XQBYDVRVYRYLCH-BQYQJAHWSA-N |
| QR Code |
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| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
N
O
F
|
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