1-(3-Chlorophenyl)-5-Methoxy-N,N-Dimethyl-1H-Pyrazole-3-Carboxamide

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Properties Simple | Detailed

Formula C13H14ClN3O2
IUPAC Name 1-(3-chlorophenyl)-5-methoxy-n,n-dimethyl-pyrazol-1-ium-2-ide-3-carboxamide
Molecular Mass 279.722 g·mol−1
Heat of Formation -35.0 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 317.7 Å 3
Surface Area 295.67 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • -
  • 1
  • 7
  • p
  • z
InChIKey XVCQBERSJBUIEB-UHFFFAOYSA-N
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Elements H C N O Cl