(1S,5E)-5-(4-Chlorobenzylidene)-2,2-Dimethyl-1-(1H-1,2,4-Triazol-1-Ylmethyl)Cyclopentanol
Properties
| Property | Value |
|---|---|
| Formula | C17H20ClN3O |
| IUPAC Name | (1s,5e)-1-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-ylmethyl)-5-[(4-chlorophenyl)methylene]-2,2-dimethyl-cyclopentanol |
| Molecular Mass | 317.813 g·mol−1 |
| Heat of Formation | 32.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.36 ± 1.08 D |
| Volume | 388.77 Å 3 |
| Surface Area | 315.42 Å 2 |
| HOMO Energy | -9.58 ± 0.55 eV |
| LUMO Energy | -0.19 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PPDBOQMNKNNODG-RKCSUWQLSA-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 |