4-(3-{4-[(S)-Cyclopentyl(Hydroxy)2-Pyridinylmethyl]-1-Piperidinyl}Propoxy)Benzonitrile
Properties
Property | Value |
---|---|
Formula | C26H33N3O2 |
IUPAC Name | 4-[3-[4-[(s)-cyclopentyl-hydroxy-(2-pyridyl)methyl]-1-piperidyl]propoxy]benzonitrile |
Molecular Mass | 419.559 g·mol−1 |
Heat of Formation | -101.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.14 ± 1.08 D |
Volume | 535.82 Å 3 |
Surface Area | 457.7 Å 2 |
HOMO Energy | -9.01 ± 0.55 eV |
LUMO Energy | 2.44 ± eV |
Point Group Symmetry | C1 |
InChIKey | CXFJNJZPBYIKCK-SANMLTNESA-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 |