Structure for 1-Oxoprop-2-ynyl
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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): | Daniel Du |
| Computational method: | B3LYP/6-31G* |
| Computational software: | Gaussian 09, Revision C.01 |
| Electronic energy: | -190.000320518 hartree |
| Dipole moment: | 2.6156 debye |
| Rotational constants: | 400.4899161 GHz 4.4262175 GHz 4.3778337 GHz |
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