Accuracy

n,n-dimethyl-p-nitroaniline   1294 N,N-Dimethyl-p-nitroaniline

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  1284 PropanediamideC3H6N2O2
  1285 Pyrazine-1,4-dioxideC4H4N2O2
  1286 UracilC4H4N2O2
  1287 ThymineC5H6N2O2
  1288 m-NitroanilineC6H6N2O2
  1289 p-NitroanilineC6H6N2O2
  1290 LysineC6H14N2O2
  1291 IsophthalamideC8H8N2O2
  1292 TeraphthalamideC8H8N2O2
  1293 N,N-Dimethyl-m-nitroanilineC8H10N2O2
  1294 N,N-Dimethyl-p-nitroaniline C8H10N2O2
  1295 TryptophanC11H12N2O2
  1296 Be(II)N2O2 (XEFSEG) (Geo)H16BeC22N2O2
  1297 Imidodicarbonic diamideC2H5N3O2
  1298 HistidineC6H9N3O2
  1299 ArgenineC6H14N4O2
  1300 Ozone (Geo)O3
  1301 OzoneO3
  1302 LiOH.2H2OH5LiO3
  1303 LiOH.2H2O (Geo)H5LiO3
  1304 Li(+)(H2O)3H6LiO3


ΔHf: 16.1 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
N,N-Dimethyl-p-nitroaniline
 H=16.1 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.42336741 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.37936428 +1  120.3885062 +1    0.0000000 +0     2     1     0
  C     1.40305543 +1  120.1160611 +1   -0.0494928 +1     3     2     1
  C     1.40318067 +1  120.3368953 +1   -0.0212237 +1     4     3     2
  C     1.37912339 +1  120.1285353 +1    0.0333945 +1     5     4     3
  N     1.36491029 +1  120.6789363 +1 -179.8484204 +1     1     2     3
  N     1.43690443 +1  119.8507736 +1  179.9993757 +1     4     3     5
  O     1.22359107 +1  118.5569997 +1   -0.0603981 +1     8     4     3
  O     1.22360746 +1  118.5419384 +1 -179.9963581 +1     8     4     9
  H     1.08448154 +1  120.4003499 +1  179.9916801 +1     2     1     3
  H     1.09709951 +1  120.3900349 +1 -179.9895332 +1     3     2     4
  C     1.46157338 +1  121.4202631 +1   -0.0241169 +1     7     1     2
  H     1.08447529 +1  119.2234724 +1 -179.9959891 +1     6     5     4
  H     1.09716287 +1  119.4513931 +1  179.9965900 +1     5     4     6
  C     1.46158134 +1  121.4133173 +1 -179.7171008 +1     7     1    13
  H     1.10714913 +1  110.8620570 +1  -60.7782956 +1    13     7     1
  H     1.10721830 +1  110.8404790 +1  120.7801773 +1    13     7    17
  H     1.10279767 +1  111.4651589 +1  119.5652107 +1    13     7    18
  H     1.10717845 +1  110.8452508 +1  -60.5547277 +1    16     7     1
  H     1.10715521 +1  110.8637743 +1  120.7937965 +1    16     7    20
  H     1.10282084 +1  111.4613244 +1  119.6001501 +1    16     7    21