Formula |
C9H8N2O2 |
IUPAC Name |
methyl 2h-pyrrolo[2,3-b]pyridin-1-ium-2-ylium-3-carboxylate |
Molecular Mass |
176.172 g·mol−1 |
Heat of Formation |
-137.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.37 ± 1.08 D |
Volume |
199.39 Å 3 |
Surface Area |
198.34 Å 2 |
HOMO Energy |
-9.40 ± 0.55 eV |
LUMO Energy |
2.25 ± eV |
Point Group Symmetry |
Cs
|
Synonyms
|
- 1h-pyrrolo[5,4-b]pyridine-3-carboxylic acid methyl ester
|
InChIKey |
XYRUNIAHPKBUJT-UHFFFAOYSA-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
|
|
|