Formula |
C18H15FN5+ |
IUPAC Name |
5-(2-fluorophenyl)-n-(3h-pyridin-1-ium-3-id-4-ylmethyl)-3h-pyrazolo[1,5-a]pyrimidin-4-ium-3-id-7-amine |
Molecular Mass |
320.344 g·mol−1 |
Heat of Formation |
393.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.56 ± 1.08 D |
Volume |
364.85 Å 3 |
Surface Area |
337.67 Å 2 |
HOMO Energy |
-8.66 ± 0.55 eV |
LUMO Energy |
-0.75 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 5-(2-fluorophenyl)-n-(4-pyridylmethyl)-1h-pyrazolo[5,1-b]pyrimidin-8-ium-7-amine
- [5-(2-fluorophenyl)-1h-pyrazolo[5,1-b]pyrimidin-8-ium-7-yl]-(4-pyridylmethyl)amine
|
InChIKey |
YFRIPTQSWHZXIH-UHFFFAOYSA-O |
QR Code |
Generate QR Code |
Links |
PubChem
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
F
N
|
|
|