| Formula |
C15H18IN3O2 |
| IUPAC Name |
4-[(2s)-2-hydroxy-3-(isopropylamino)propoxy]-3-iodo-indol-1-ium-2-carbonitrile |
| Molecular Mass |
399.227 g·mol−1 |
| Heat of Formation |
-28.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.40 ± 1.08 D |
| Volume |
382.08 Å 3 |
| Surface Area |
344.06 Å 2 |
| HOMO Energy |
-8.50 ± 0.55 eV |
| LUMO Energy |
-0.89 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-[(2s)-2-hydroxy-3-(isopropylamino)propoxy]-3-iodo-1h-indole-2-carbonitrile
- 4-[(2s)-2-hydroxy-3-(propan-2-ylamino)propoxy]-3-iodo-1h-indole-2-carbonitrile
- pdsp1_001489
- pdsp2_001473
|
| InChIKey |
WGSPBWSPJOBKNT-JTQLQIEISA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
I
H
C
O
N
|
| |
|
