[(3R)-3-(Hydroxymethyl)-1-Piperidinyl]{4-[(4-Methoxyphenyl)Ethynyl]Phenyl}Methanone
Properties
Property | Value |
---|---|
Formula | C22H23NO3 |
IUPAC Name | [(3r)-3-(hydroxymethyl)-1-piperidyl]-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]methanone |
Molecular Mass | 349.423 g·mol−1 |
Heat of Formation | -141.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.77 ± 1.08 D |
Volume | 431.66 Å 3 |
Surface Area | 392.99 Å 2 |
HOMO Energy | -8.89 ± 0.55 eV |
LUMO Energy | -0.56 ± eV |
Point Group Symmetry | C1 |
InChIKey | VSLWUPHHCFQTDB-LJQANCHMSA-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 |