N,N-Diethyl-2-[2-(3-Iodo-4-Methoxyphenyl)-5,7-Dimethylpyrazolo[1,5-A]Pyrimidin-3-Yl]Acetamide
Properties
Property | Value |
---|---|
Formula | C21H25IN4O2 |
IUPAC Name | n,n-diethyl-2-[2-(3-iodo-4-methoxy-phenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]acetamide |
Molecular Mass | 492.353 g·mol−1 |
Heat of Formation | 1.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.66 ± 1.08 D |
Volume | 496.14 Å 3 |
Surface Area | 400.09 Å 2 |
HOMO Energy | -8.41 ± 0.55 eV |
LUMO Energy | 2.46 ± eV |
Point Group Symmetry | C1 |
InChIKey | TYBYEGAEDKDDES-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
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Elements | I H C O N |