| Formula |
C7H6N2O |
| IUPAC Name |
1-methyl-4-oxo-piperidine-2,3,5,6-tetraide-3-carbonitrile |
| Molecular Mass |
134.135 g·mol−1 |
| Heat of Formation |
87.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
10.64 ± 1.08 D |
| Volume |
163.01 Å 3 |
| Surface Area |
168.3 Å 2 |
| HOMO Energy |
-9.33 ± 0.55 eV |
| LUMO Energy |
2.10 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1,4-dihydro-1-methyl-4-oxo-3-pyridinecarbonitri*
- 1-methyl-4-oxo-3-pyridinecarbonitrile
- 1-methyl-4-oxo-pyridine-3-carbonitrile
- 1-methyl-4-oxopyridine-3-carbonitrile
- 3-pyridinecarbonitrile, 1,4-dihydro-1-methyl-4-oxo-
- 4-keto-1-methyl-nicotinonitrile
- mallorepine
- nicotinonitrile, 1,4-dihydro-1-methyl-4-oxo-
|
| CAS Number(s) |
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| InChIKey |
VVNHMAOQCMDJHT-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
N
|
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