3-{[(1R,2S)-1-Hydroxy-1-Phenyl-2-Propanyl](Methyl)Amino}Propanenitrile
Properties
Property | Value |
---|---|
Formula | C13H18N2O |
IUPAC Name | 3-[[(1r,2r)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]propanenitrile |
Molecular Mass | 218.295 g·mol−1 |
Heat of Formation | -9.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.57 ± 1.08 D |
Volume | 290.89 Å 3 |
Surface Area | 252.55 Å 2 |
HOMO Energy | -9.16 ± 0.55 eV |
LUMO Energy | 0.25 ± eV |
Point Group Symmetry | C1 |
InChIKey | ANQHQOKTEJIOOQ-YPMHNXCESA-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 |