(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

Molecule SVG Image

Properties Simple | Detailed

Formula C29H40F3N5O3
IUPAC Name [1-[[4-[2-[[(4s)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-amino]ethyl]phenyl]-methyl-carbamoyl]-2,2,2-trifluoro-ethyl]-λ1-azanyl-azanide
Molecular Mass 563.655 g·mol−1
Heat of Formation -692.9 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 679.45 Å 3
Surface Area 556.49 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
InChIKey LSZIVBOIBFXLNT-JTBBYZLCSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F