3-[3-Chloro-4-[(E)-(2-Chloro-4-Nitro-Phenyl)Azo]-N-(2-Cyanoethyl)Anilino]Propanenitrile

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Properties Simple | Detailed

Formula C18H14Cl2N6O2
IUPAC Name 3-[3-chloro-4-[(e)-(2-chloro-4-nitro-phenyl)azo]-n-(2-cyanoethyl)anilino]propanenitrile
Molecular Mass 417.249 g·mol−1
Heat of Formation 529.6 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 461.86 Å 3
Surface Area 406.83 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry C1
InChIKey YTGNRWHRCTTZAZ-WCWDXBQESA-N
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Elements H C N O Cl