(1S,13S,15S)-7-Chloro-12,12-Dimethyl-10,19,21-Triazahexacyclo[13.5.2.0~1,13~.0~3,11~.0~4,9~.0~15,19~]Docosa-3(11),4,6,8-Tetraen-22-One
Properties
Property | Value |
---|---|
Formula | C21H24ClN3O |
IUPAC Name | (1s,13s,15s)-7-chloro-12,12-dimethyl-10,19,21-triazahexacyclo[13.5.2.0 1,13 .0 3,11 .0 4,9 .0 15,19 ]docosa-3(11),4,6,8-tetraen-22-one |
Molecular Mass | 369.888 g·mol−1 |
Heat of Formation | -75.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.77 ± 1.08 D |
Volume | 427.87 Å 3 |
Surface Area | 348.4 Å 2 |
HOMO Energy | -8.66 ± 0.55 eV |
LUMO Energy | -0.46 ± eV |
Point Group Symmetry | C1 |
InChIKey | DXPVAKSJZFQGSS-DQLDELGASA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O Cl |