7-Chloro-3-Oxo-8-[(4-Pyridinylmethyl)Amino]-11,17-Dioxa-2,4,20,22-Tetraazatricyclo[16.3.1.0~5,10~]Docosa-1(22),5,7,9,18,20-Hexaene-19-Carbonitrile
Properties
Property | Value |
---|---|
Formula | C23H22ClN7O3 |
IUPAC Name | 7-chloro-3-oxo-8-[(4-pyridinylmethyl)amino]-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0 5,10 ]docosa-1(22),5,7,9,18,20-hexaene-19-carbonitrile |
Molecular Mass | 479.919 g·mol−1 |
Heat of Formation | -20.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.10 ± 1.08 D |
Volume | 535.37 Å 3 |
Surface Area | 460.88 Å 2 |
HOMO Energy | -8.36 ± 0.55 eV |
LUMO Energy | 1.70 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZUEAHWHCYOLVEP-UHFFFAOYSA-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 |