Structure for 1-Hexyn-3-ol, 3,5-dimethyl-
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The Resolver thinks Mol
1-Hexyn-3-ol, 3,5-dimethyl-
NIST 05100211083D 1 1.00000 0.00000
Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved.
1-Hexyn-3-ol, 3,5-dimethyl-
date:"2002-05-10"
copyright:"Collection (C) 2012 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved."
name:"1-Hexyn-3-ol, 3,5-dimethyl-"
cas.number:"107-54-0"
method:"PM3"
contributor:"Karl Irikura"
reviewer:"Karl Irikura and Joel Liebman"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C107540): 98 ms
reading 23 atoms
ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false
1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.
Default Van der Waals type for model set to Babel
23 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 8 ms
1-Hexyn-3-ol, 3,5-dimethyl-
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Additional information about this structure
| Owner: | Collection (C) 2012 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Computation date: | 2002-05-10 |
| Contributor(s): | Karl Irikura |
| Reviewer(s): | Karl Irikura and Joel Liebman |
| Computational method: | PM3 |