| Formula |
C24H27F3N8O3 |
| IUPAC Name |
1-(2-hydroxyethyl)-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,3-h]quinazolin-1-ium-2-ide-3-carboxamide |
| Molecular Mass |
532.518 g·mol−1 |
| Heat of Formation |
-761.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.26 ± 1.08 D |
| Volume |
583.25 Å 3 |
| Surface Area |
459.31 Å 2 |
| HOMO Energy |
-8.91 ± 0.55 eV |
| LUMO Energy |
1.93 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
QHLVBNKYJGBCQJ-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
ChemSpider
|
| DOI |
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| Downloads |
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|
| Elements |
H
C
N
O
F
|
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