Formula |
C16H22ClNO |
IUPAC Name |
6-chloro-3-methyl-9-(3-methylbut-2-enoxy)-1,2,4,5-tetrahydro-3-benzazepine |
Molecular Mass |
279.805 g·mol−1 |
Heat of Formation |
-154.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.20 ± 1.08 D |
Volume |
355.79 Å 3 |
Surface Area |
283.5 Å 2 |
HOMO Energy |
-8.86 ± 0.55 eV |
LUMO Energy |
-0.01 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 1h-3-benzazepine, 6-chloro-2,3,4,5-tetrahydro-3-methyl-9-((3-methyl-2-butenyl)oxy)-
- pdsp1_000610
- pdsp2_000607
- sk&f 104078
- sk&f-104078
- skf 104078
|
CAS Number(s) |
|
InChIKey |
MBYSTKNEMJZSIK-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
N
O
Cl
|
|
|