2-[(E)-{4-[(2-Cyanoethyl)(Ethyl)Amino]Phenyl}Diazenyl]-5-Nitrobenzonitrile

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Properties Simple | Detailed

Formula C18H16N6O2
IUPAC Name 2-[(e)-[4-[2-cyanoethyl(ethyl)amino]phenyl]azo]-5-nitro-benzonitrile
Molecular Mass 348.359 g·mol−1
Heat of Formation 620.5 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 420.07 Å 3
Surface Area 379.93 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
InChIKey QEORVDCGZONWCJ-QURGRASLSA-N
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