(1-{4-[(1S,13S)-3-Amino-7-Chloro-10-Azatetracyclo[11.3.1.0~2,11~.0~4,9~]Heptadeca-2(11),3,5,7,9,14-Hexaen-15-Yl]Butyl}-1H-1,2,3-Triazol-4-Yl)Methanol
Properties
Property | Value |
---|---|
Formula | C23H26ClN5O |
IUPAC Name | (1-{4-[(1s,13s)-3-amino-7-chloro-10-azatetracyclo[11.3.1.0 2,11 .0 4,9 ]heptadeca-2(11),3,5,7,9,14-hexaen-15-yl]butyl}-1h-1,2,3-triazol-4-yl)methanol |
Molecular Mass | 423.938 g·mol−1 |
Heat of Formation | 143.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.94 ± 1.08 D |
Volume | 502.49 Å 3 |
Surface Area | 421.66 Å 2 |
HOMO Energy | -8.83 ± 0.55 eV |
LUMO Energy | -1.17 ± eV |
Point Group Symmetry | C1 |
InChIKey | MHMXFYDLGYPRNA-JKSUJKDBSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C Cl O N |