| Formula |
C26H26N6O3 |
| IUPAC Name |
(ne)-n-[5-[(2r)-2-methoxy-2-phenyl-acetyl]-4h-pyrrolo[3,4-c]pyrazol-5-ium-4-ylium-3-ylidene]-4-(4-methylpiperazin-1-yl)benzamide |
| Molecular Mass |
470.523 g·mol−1 |
| Heat of Formation |
283.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
12.23 ± 1.08 D |
| Volume |
566.07 Å 3 |
| Surface Area |
436.06 Å 2 |
| HOMO Energy |
-8.59 ± 0.55 eV |
| LUMO Energy |
1.66 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
URAXMZZTYSWIMX-ZQULZTDNSA-N |
| QR Code |
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| Links |
ChemSpider
|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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