| Formula |
C17H16N2O2 |
| IUPAC Name |
(4s)-2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)chromane-6-carbonitrile |
| Molecular Mass |
280.321 g·mol−1 |
| Heat of Formation |
60.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.53 ± 1.08 D |
| Volume |
339.32 Å 3 |
| Surface Area |
298.01 Å 2 |
| HOMO Energy |
-9.16 ± 0.55 eV |
| LUMO Energy |
2.23 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (4s)-2,2-dimethyl-4-(1-oxido-2-pyridin-1-iumyl)-6-chromancarbonitrile
- (4s)-2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)chroman-6-carbonitrile
|
| InChIKey |
IPASVSRDRRKZCQ-AWEZNQCLSA-N |
| QR Code |
Generate QR Code |
| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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