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barbituric acid   1349 Barbituric acid

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    #  Species Formula
  1339 Ethyl nitrateC2H5NO3
  1340 SerineC3H7NO3
  1341 2-NitrofuranC4H3NO3
  1342 ThreonineC4H9NO3
  1343 m-NitrophenolC6H5NO3
  1344 o-NitrophenolC6H5NO3
  1345 p-NitrophenolC6H5NO3
  1346 TyrosineC9H11NO3
  1347 Dinitrogen trioxideN2O3
  1348 Dinitrogen trioxide (Geo)N2O3
  1349 Barbituric acid C4H4N2O3
  1350 AsparagineC4H8N2O3
  1351 GLY-GLYC4H8N2O3
  1352 GlutamineC5H10N2O3
  1353 ALA-ALAC6H12N2O3
  1354 8-Hydroxy-5-nitroquinolineC9H6N2O3
  1355 Pro-pro (Geo)C10H16N2O3
  1356 PRO-PROC10H16N2O3
  1357 Val-val (Geo)C10H20N2O3
  1358 VAL-VALC10H20N2O3
  1359 Ile-ile (Geo)C12H24N2O3


ΔHf: -121.8 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
Barbituric acid
 H=-121.8 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.40487943 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.40343872 +1  125.0643577 +1    0.0000000 +0     2     1     0
  C     1.50100706 +1  117.8968221 +1   -0.0804172 +1     3     2     1
  C     1.49984962 +1  117.2550844 +1    0.0728748 +1     4     3     2
  N     1.40463021 +1  116.8172064 +1   -0.0224008 +1     1     2     3
  O     1.20803010 +1  121.5871086 +1 -179.9986282 +1     1     2     3
  O     1.20577288 +1  118.6630096 +1  179.9654485 +1     3     2     1
  O     1.20587094 +1  123.5542487 +1  179.9014069 +1     5     4     3
  H     1.02701600 +1  116.6647226 +1  179.9745038 +1     2     1     6
  H     1.12309597 +1  108.8911963 +1 -124.2176016 +1     4     3     2
  H     1.12311901 +1  108.9025176 +1  124.4510511 +1     4     3     2
  H     1.02673295 +1  116.7700035 +1 -179.9762884 +1     6     1     2