N-{[1-(2,3-Dihydro-1,4-Benzodioxin-2-Ylmethyl)-4-Piperidinyl]Methyl}-1,3-Benzothiazol-2-Amine
Properties
Property | Value |
---|---|
Formula | C22H25N3O2S |
IUPAC Name | n-[[1-[[(3r)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-piperidyl]methyl]-1,3-benzothiazol-2-amine |
Molecular Mass | 395.518 g·mol−1 |
Heat of Formation | -24.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.19 ± 1.08 D |
Volume | 469.83 Å 3 |
Surface Area | 411.17 Å 2 |
HOMO Energy | -8.68 ± 0.55 eV |
LUMO Energy | -0.85 ± eV |
Point Group Symmetry | C1 |
InChIKey | WKDICWUJRAUKFM-QGZVFWFLSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |