N-(2,6-Dimethylphenyl)-5-Methyl-3-Isoxazolecarboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C13H14N2O2
IUPAC Name n-(2,6-dimethylphenyl)-5-methyl-isoxazole-3-carboxamide
Molecular Mass 230.262 g·mol−1
Heat of Formation -66.7 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 278.65 Å 3
Surface Area 261.65 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 3-isoxazolecarboxamide, n-(2,6-dimethylphenyl)-5-methyl-
  • d 2624
  • d2624
  • n-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
  • n-(2,6-dimethylphenyl)-5-methyl-isoxazole-3-carboxamide
CAS Number(s)
  • 130402-91-4
InChIKey RLXJYVWTIYEJIQ-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N