2-Ethyl-1-{[(6-Ethyl-1-Oxo-2,3,3A,6,7,7A-Hexahydro-1H-Inden-4-Yl)Carbonyl]Amino}Cyclopropanecarboxylic Acid
Properties
Property | Value |
---|---|
Formula | C18H25NO4 |
IUPAC Name | (1s,2r)-1-[[(3as,6s,7as)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carbonyl]amino]-2-ethyl-cyclopropanecarboxylic acid |
Molecular Mass | 319.395 g·mol−1 |
Heat of Formation | -712.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.03 ± 1.08 D |
Volume | 403.37 Å 3 |
Surface Area | 334.4 Å 2 |
HOMO Energy | -9.91 ± 0.55 eV |
LUMO Energy | 3.31 ± eV |
Point Group Symmetry | C1 |
InChIKey | FMGBNISRFNDECK-WAPIYPGOSA-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 |