| Formula |
C15H10Cl2N4O |
| IUPAC Name |
4-(2,4-dichloro-5-methoxy-phenyl)-2-methyl-pyrrolo[2,3-d]pyrimidin-7-ium-2-ylium-5-carbonitrile |
| Molecular Mass |
333.172 g·mol−1 |
| Heat of Formation |
205.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.36 ± 1.08 D |
| Volume |
354.36 Å 3 |
| Surface Area |
307.75 Å 2 |
| HOMO Energy |
-9.09 ± 0.55 eV |
| LUMO Energy |
1.68 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
XQAFNWQVIXKAPE-UHFFFAOYSA-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
Cl
O
N
|
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