N,N-Diethyl-2-{2-[3-(~125~I)Iodo-4-Methoxyphenyl]-5,7-Dimethylpyrazolo[1,5-A]Pyrimidin-3-Yl}Acetamide

Molecule SVG Image

Properties Simple | Detailed

Formula C21H26IN4O2
IUPAC Name n,n-diethyl-2-[2-(3-iodo-4-methoxy-phenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-4-ium-3-id-3-yl]acetamide
Molecular Mass 493.361 g·mol−1
Heat of Formation 1.3 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 496.82 Å 3
Surface Area 400.61 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
InChIKey TYBYEGAEDKDDES-ONBQKKEBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements I H C O N