4-(2,4-Dichloro-5-Methoxyphenyl)-2-Methyl-1H-Pyrrolo[2,3-D]Pyrimidine-5-Carbonitrile
Properties
Property | Value |
---|---|
Formula | C15H10Cl2N4O |
IUPAC Name | 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-1h-pyrrolo[2,3-d]pyrimidine-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 | 354.34 Å 3 |
Surface Area | 307.82 Å 2 |
HOMO Energy | -9.09 ± 0.55 eV |
LUMO Energy | 1.68 ± eV |
Point Group Symmetry | C1 |
InChIKey | XQAFNWQVIXKAPE-UHFFFAOYSA-O |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C Cl O N |