Gaussian Job Archive for C16H10N2O2
Henry S. Rzepa
10.6084/m9.figshare.103120.v1
https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C16H10N2O2/103120
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
2012-12-06 09:00:42
InChI=1S/C16H10N2O2/c17-15(12-7-3-1-4-8-12)14(16(19)20)11-18-13-9-5-2-6-10-13/h1-10H
InChIKey=YAYKCBISWGWCHW-UHFFFAOYSA-N
C(=[N])([C](C(=O)[O])[C][N]c1ccccc1)c1ccccc1
C16H10N2O2
rwb97xd/6-311G(d,p)
integral=grid=ultrafine
stable
Organic Chemistry