| Formula |
C15H18ClN3O |
| IUPAC Name |
(1r,2r)-2-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-1-(4-chlorophenyl)cycloheptanol |
| Molecular Mass |
291.776 g·mol−1 |
| Heat of Formation |
13.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.50 ± 1.08 D |
| Volume |
341.09 Å 3 |
| Surface Area |
282.91 Å 2 |
| HOMO Energy |
-9.66 ± 0.55 eV |
| LUMO Energy |
-0.32 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (1r,2r)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)-1-cycloheptanol
- (1r,2r)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)cycloheptan-1-ol
|
| InChIKey |
WRGKWWRFSUGDPX-HUUCEWRRSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
N
O
Cl
|
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