2-(3-Pyridinyl)-4H-3,1-Benzoxazin-4-One

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Properties Simple | Detailed

Formula C13H9N2O2+
IUPAC Name 2-(3-pyridyl)-3,1-benzoxazin-4-one
Molecular Mass 225.223 g·mol−1
Heat of Formation 2.4 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 247.94 Å 3
Surface Area 239.31 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 1.53 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-pyridin-3-yl-benzo[d][1,3]oxazin-4-one
  • bas 00097116
  • bim-0010024.p001
  • cbmicro_009922
InChIKey GZRBBQAPCOAZMQ-UHFFFAOYSA-N
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