Structure for 1,3,5,7-Octatetraene
Notes
- 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.
Use or mention of technologies or programs in this web site is not intended to imply recommendation or endorsement by the National Institute of Standards and Technology, nor is it intended to imply that these items are necessarily the best available for the purpose
IR frequencies derived from structure calulation
IR frequencies derived from the computation which produced the structure are shown in the plot below. These data are not adjusted for any expected biases in the computational method.
Notice: A plot could not be displayed here becuse plotting data currently requires a JavaScript and HTML 5 canvas enabled browser.
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. |
|---|---|
| Computation date: | 2012-07-25 |
| Contributor(s): | Katherine Hafner |
| Computational method: | B3LYP/6-31G* |
| Computational software: | Gaussian 09, Revision C.01 |
| Electronic energy: | -310.805670414 hartree |
| Dipole moment: | 0.0000 debye |
| Rotational constants: | 19.65502 GHz 0.56761 GHz 0.55168 GHz |