(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

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Properties Simple | Detailed

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
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