4-[7-Acetyl-8-({4-[(Dimethylamino)Methyl]Cyclohexyl}Amino)-1,5-Naphthyridin-2(1H)-Ylidene]-2,6-Dichloro-2,5-Cyclohexadien-1-One
Properties
Property | Value |
---|---|
Formula | C25H28Cl2N4O2 |
IUPAC Name | 4-[7-acetyl-8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1h-1,5-naphthyridin-5-ium-8a-id-2-ylidene]-2,6-dichloro-cyclohexa-2,5-dien-1-one |
Molecular Mass | 487.421 g·mol−1 |
Heat of Formation | 2987.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.08 ± 1.08 D |
Volume | 460.8 Å 3 |
Surface Area | 385.17 Å 2 |
HOMO Energy | -9.30 ± 0.55 eV |
LUMO Energy | -3.36 ± eV |
Point Group Symmetry | C1 |
InChIKey | WZJUACDPTWDYSI-WOVMCDHWSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C Cl O N |