Gaussian Job Archive for C18H23NO3

https://doi.org/10.6084/m9.figshare.806250

dataset

posted on 2013-10-05, 22:16 authored by Nicholas MasonNicholas Mason

Archive of work produced using the resources of the Imperial College High Performance Computing Service.

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Related Materials

1.
URL - References http://www.imperial.ac.uk/ict/services/teachingandresearchservices/highperformancecomputing
2.
URL - References http://dx.doi.org/10042/25002
3.
URL - References http://dx.doi.org/10042/25090
4.
URL - References http://www.chemspider.com/Search.aspx?q=InChIKey=VHWSRYFDAPZNOA-PVAVHDDUSA-N
5.
URL - References http://www.ncbi.nlm.nih.gov/pccompound?term=InChIKey=VHWSRYFDAPZNOA-PVAVHDDUSA-N
6.
URL - References http://www.ch.ic.ac.uk/rzepa/data-descriptors/

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Organic chemistry not elsewhere classified

Keywords

InChI=1S/C18H23NO3/c20-17(13-7-2-1-3-8-13)14-9-4-5-10-15(14)19-12-6-11-16(19)18(21)22/h1-3,7-8,14,16-17,20H,4-6,9-12H2/t14-,16+,17+/m1/s1 InChIKey=VHWSRYFDAPZNOA-PVAVHDDUSA-N [C@H]([C@H]1[C](N2[C@@H](CCC2)C(=O)[O])CCCC1)(O)c1ccccc1 C18H23NO3 b3lyp/6-31G*scrf=(cpcm,solvent=dimethylsulfoxide)Organic Chemistry

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