2-(2,4-Dichlorophenyl)-6-(4-Heptanyl)-4-Methyl-2A,7,8,8B-Tetrahydro-6H-1,3,6,8A-Tetraazaacenaphthylene
Properties
Property | Value |
---|---|
Formula | C22H28Cl2N4 |
IUPAC Name | (4s,12s)-3-(2,4-dichlorophenyl)-6-methyl-9-(1-propylbutyl)-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,5,7-triene |
Molecular Mass | 419.391 g·mol−1 |
Heat of Formation | 164.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.80 ± 1.08 D |
Volume | 500.46 Å 3 |
Surface Area | 387.18 Å 2 |
HOMO Energy | -8.30 ± 0.55 eV |
LUMO Energy | -0.45 ± eV |
Point Group Symmetry | C1 |
InChIKey | KVGGRLICTYWBLN-FGZHOGPDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N Cl |