N-[3-(Dimethylamino)Propyl]-N-Methyl-N'-[(1S,2R,5S,6S,7S,8R,9R)-2,6,9-Trimethyl-13-Oxatetracyclo[6.3.1.1~6,9~.0~1,5~]Tridec-7-Yl]-1,4-Butanediamine
Properties
Property | Value |
---|---|
Formula | C25H47N3O |
IUPAC Name | n-[3-(dimethylamino)propyl]-n-methyl-n'-[(1s,2r,5s,6s,7s,8r,9r)-2,6,9-trimethyl-13-oxatetracyclo[6.3.1.1 6,9 .0 1,5 ]tridec-7-yl]-1,4-butanediamine |
Molecular Mass | 405.660 g·mol−1 |
Heat of Formation | -338.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.75 ± 1.08 D |
Volume | 565.87 Å 3 |
Surface Area | 445.58 Å 2 |
HOMO Energy | -8.57 ± 0.55 eV |
LUMO Energy | 2.65 ± eV |
Point Group Symmetry | C1 |
InChIKey | JIRJLWLQLDLWSW-XNDBBLGPSA-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 |