Structure for Isophthalic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
- This display requires that Java be installed on your system and your browser to have Java enabled.
- Display via Jmol: an open-source Java viewer for chemical structures in 3D. Information on Jmol. it's licensing, and it's source can be found on the Jmol website. The code used in this site is not not modified from that distributed by the Jmol developers.
- Uasge hints:
- drag with left mouse button to rotate species.
- right click (or control left click) for options menu.
- use mouse wheel to zoom.
- More user documentation can be found on the Jmol wiki site.
IR frequencies derived from structure calulation
The following components were used in generating the plot:
- jQuery UI
- Plugins for Flot:
Additonal code used was developed at NIST: plot-data.js.
Note: Numeric values for the IR frequencies are avialable in the SD file.
Additional information about this structure
|Owner:||Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
|Computational software:||Gaussian 09, Revision D.01
|Electronic energy:||-1953.61098751 hartree
|Dipole moment:||5.1270 debye
|Rotational constants:||0.34652 GHz