Methyl N-(4-((2-Chloro-4-Nitrophenyl)Azo)Phenyl)-N-(2-Cyanoethyl)-β-Alaninate

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Properties Simple | Detailed

Formula C19H18ClN5O4
IUPAC Name methyl 3-[4-[(e)-(2-chloro-4-nitro-phenyl)azo]-n-(2-cyanoethyl)anilino]propanoate
Molecular Mass 415.830 g·mol−1
Heat of Formation 97.7 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 476.25 Å 3
Surface Area 427.72 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 1.17 ± eV
Point Group Symmetry C1
InChIKey BMUXKUVOASOJKR-GHVJWSGMSA-N
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Elements H C N O Cl