1-[4-(1-Pyrrolidinyl)-2-Butyn-1-Yl]-2-Pyrrolidinethione
Properties
Property | Value |
---|---|
Formula | C12H18N2S |
IUPAC Name | 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidine-2-thione |
Molecular Mass | 222.350 g·mol−1 |
Heat of Formation | 281.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.78 ± 1.08 D |
Volume | 294.79 Å 3 |
Surface Area | 269.05 Å 2 |
HOMO Energy | -8.21 ± 0.55 eV |
LUMO Energy | 2.85 ± eV |
Point Group Symmetry | C1 |
InChIKey | CRWAPXZJXYKQTC-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C N |