1-(5-Chloro-2,4-Dimethoxyphenyl)-3-(5-Cyano-2-Pyrazinyl)Urea

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Properties Simple | Detailed

Formula C14H12ClN5O3
IUPAC Name 1-(5-chloro-2,4-dimethoxy-phenyl)-3-(5-cyanopyrazin-2-yl)urea
Molecular Mass 333.730 g·mol−1
Heat of Formation -57.8 ± 16.7 kJ·mol−1
Dipole Moment 11.70 ± 1.08 D
Volume 362.09 Å 3
Surface Area 342.17 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-cyanopyrazin-2-yl)urea
InChIKey URQYPXQXSVUVRG-UHFFFAOYSA-N
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Elements H C Cl O N