2-(6-Cyano-2,2-Dimethyl-2H-1-Benzopyran-4-Yl)Pyridine-1-Oxide

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Properties Simple | Detailed

Formula C17H20N2O2+
IUPAC Name 2,2-dimethyl-4-(1-oxidopiperidine-2,3,4,5,6-pentaid-2-yl)chromene-6-carbonitrile
Molecular Mass 284.353 g·mol−1
Heat of Formation 158.5 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 331.07 Å 3
Surface Area 296.86 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-dimethyl-4-(1-oxido-2-pyridin-1-iumyl)-6-chromenecarbonitrile
  • 2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)chromene-6-carbonitrile
  • 2h-1-benzopyran-6-carbonitrile, 2,2-dimethyl-4-(1-oxido-2-pyridinyl)-
  • 2h-1-benzopyran-6-carbonitrile, 2,2-dimethyl-4-(2-pyridinyl)-, n-oxide
  • ro 31-6930
CAS Number(s)
  • 120280-37-7
InChIKey PQVILGHAVGQHRP-UHFFFAOYSA-N
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