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
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Synonyms
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- 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-
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CAS Number(s) |
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InChIKey |
VVNHMAOQCMDJHT-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
O
N
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