2,2-Dimethyl-6-Nitro-4-(1-Oxido-2-Pyridinyl)-3,4-Dihydro-2H-1,4-Benzoxazine

Molecule SVG Image

Properties Simple | Detailed

Formula C15H15N3O4
IUPAC Name 2,2-dimethyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3h-1,4-benzoxazine
Molecular Mass 301.297 g·mol−1
Heat of Formation 7.1 ± 16.7 kJ·mol−1
Dipole Moment 6.31 ± 1.08 D
Volume 337.82 Å 3
Surface Area 295.03 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-dimethyl-6-nitro-4-(1-oxido-2-pyridin-1-iumyl)-3h-1,4-benzoxazine
  • 2,2-dimethyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3h-1,4-benzoxazine
  • 2-(3,4-dihydro-2,2-dimethyl-6-nitro-2h-1,4-benzoxazin-4-yl)pyridine n-oxide
  • 2h-1,4-benzoxazine, 3,4-dihydro-2,2-dimethyl-6-nitro-4-(2-pyridinyl)-, n-oxide
  • ym 934
  • ym-934
CAS Number(s)
  • 136544-11-1
InChIKey GOTJEXSHEQBBSV-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