2-({2,2-Dimethyl-3-[(3E)-3-(5-Oxo-2(5H)-Pyridinylidene)-2,3-Dihydro-1,2,4-Oxadiazol-5-Yl]Propanoyl}Amino)-1-Cyclohexene-1-Carboxylic Acid
Properties
Property | Value |
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Formula | C19H22N4O5 |
IUPAC Name | 2-[[2,2-dimethyl-3-[(3e)-3-(5-oxopyridin-2-ylidene)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid |
Molecular Mass | 386.402 g·mol−1 |
Heat of Formation | -501.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.42 ± 1.08 D |
Volume | 452.41 Å 3 |
Surface Area | 377.38 Å 2 |
HOMO Energy | -8.96 ± 0.55 eV |
LUMO Energy | -1.90 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | PHGMXUSKLSOOBC-JQIJEIRASA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |