(1Z)-1-{[4-(2-{[4-Cyano-4-(3,4-Dimethoxyphenyl)-5-Methylhexyl](Methyl)Amino}Ethyl)Phenyl](Methyl)Amino}-2-Diazonio-3,3,3-Trifluoro-1-Propen-1-Olate
Properties
Property | Value |
---|---|
Formula | C29H36F3N5O3 |
IUPAC Name | (z)-1-[4-[2-[[(4s)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-amino]ethyl]-n-methyl-anilino]-2-diazonio-3,3,3-trifluoro-prop-1-en-1-olate |
Molecular Mass | 559.623 g·mol−1 |
Heat of Formation | 3874.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 24.67 ± 1.08 D |
Volume | 557.33 Å 3 |
Surface Area | 507.73 Å 2 |
HOMO Energy | -7.63 ± 0.55 eV |
LUMO Energy | -2.71 ± eV |
Point Group Symmetry | C1 |
InChIKey | LSZIVBOIBFXLNT-JTBBYZLCSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C N O F |