Formula |
C17H14N2O2 |
IUPAC Name |
2,2-dimethyl-4-(1-oxidopiperidine-2,3,4,5,6-pentaid-2-yl)chromene-6-carbonitrile |
Molecular Mass |
278.305 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
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Synonyms
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- 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
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CAS Number(s) |
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InChIKey |
PQVILGHAVGQHRP-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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