| Formula |
C12H18BrN3O |
| IUPAC Name |
(1r)-1-(6-bromo-5-ethoxy-3-pyridyl)-1,4-diazepane |
| Molecular Mass |
300.195 g·mol−1 |
| Heat of Formation |
-41.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.20 ± 1.08 D |
| Volume |
309.75 Å 3 |
| Surface Area |
273.54 Å 2 |
| HOMO Energy |
-8.31 ± 0.55 eV |
| LUMO Energy |
-0.43 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1-(6-bromo-5-ethoxy-3-pyridyl)-1,4-diazepane
- 1-(6-bromo-5-ethoxy-pyridin-3-yl)-1,4-diazepane
- 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane
|
| InChIKey |
UGNNTIXQGYYUAP-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
Br
N
|
| |
|
