4-(Diethylnitroryl)-2-Butyn-1-Yl Cyclohexyl(Hydroxy)Phenylacetate
Properties
| Property | Value |
|---|---|
| Formula | C22H31NO4 |
| IUPAC Name | 4-[(2r)-2-cyclohexyl-2-hydroxy-2-phenyl-acetyl]oxy-n,n-diethyl-but-2-yn-1-amine oxide |
| Molecular Mass | 373.486 g·mol−1 |
| Heat of Formation | -342.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.84 ± 1.08 D |
| Volume | 484.59 Å 3 |
| Surface Area | 384.45 Å 2 |
| HOMO Energy | -8.81 ± 0.55 eV |
| LUMO Energy | 3.02 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LBINNMJXZZEDOO-QFIPXVFZSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |