| Formula |
C28H26ClN3O3 |
| IUPAC Name |
4-(2-chlorophenyl)-6-hexa-1,4-diynyl-3-(oxomethylene)-2-[2-(2-pyridyl)ethynoxymethyl]-7h-pyrrolo[3,4-b]pyridin-1-ium-5-one |
| Molecular Mass |
487.977 g·mol−1 |
| Heat of Formation |
3427.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.08 ± 1.08 D |
| Volume |
373.64 Å 3 |
| Surface Area |
265.83 Å 2 |
| HOMO Energy |
-8.15 ± 0.55 eV |
| LUMO Energy |
-3.65 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
YGKDFWHVQNDMLG-AREMUKBSSA-N |
| QR Code |
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| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
C
N
O
Cl
|
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