| Formula |
C28H31N7O2 |
| IUPAC Name |
(3e)-n-(2,6-diethylphenyl)-3-[4-(4-methylpiperazin-1-yl)benzoyl]imino-4h-pyrrolo[3,4-c]pyrazol-5-ium-4-ylium-5-carboxamide |
| Molecular Mass |
497.591 g·mol−1 |
| Heat of Formation |
348.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.59 ± 1.08 D |
| Volume |
593.67 Å 3 |
| Surface Area |
518.96 Å 2 |
| HOMO Energy |
-8.34 ± 0.55 eV |
| LUMO Energy |
1.50 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
WUWKQGPEIAHGLN-URGPHPNLSA-N |
| QR Code |
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| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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