Formula |
C31H30N8O2 |
IUPAC Name |
2-butyl-5-((111c)methoxymethyl)-6-(1-oxidopyridin-1-ium-2-yl)-3-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine |
Molecular Mass |
545.623 g·mol−1 |
Heat of Formation |
617.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.39 ± 1.08 D |
Volume |
653.03 Å 3 |
Surface Area |
540.59 Å 2 |
HOMO Energy |
-8.69 ± 0.55 eV |
LUMO Energy |
1.52 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 2-butyl-5-[11c]methoxymethyl-6-(1-oxopyridin-2-yl)-3-[[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methyl]-3h-imidazo[4,5-b]pyridine
- [11c]kr31173
|
InChIKey |
KTIHPEHEYAUWHK-JVVVGQRLSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
N
|
|
|