barbituric acid

barbituric acid 1163 Barbituric acid

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#	Species	Formula
1153	Ethyl nitrate	C2H5NO3
1154	Serine	C3H7NO3
1155	2-Nitrofuran	C4H3NO3
1156	Threonine	C4H9NO3
1157	m-Nitrophenol	C6H5NO3
1158	o-Nitrophenol	C6H5NO3
1159	p-Nitrophenol	C6H5NO3
1160	Tyrosine	C9H11NO3
1161	Dinitrogen trioxide	N2O3
1162	Dinitrogen trioxide (Geo)	N2O3
1163	Barbituric acid	C4H4N2O3
1164	Asparagine	C4H8N2O3
1165	Glutamine	C5H10N2O3
1166	8-Hydroxy-5-nitroquinoline	C9H6N2O3
1167	Pro-pro (Geo)	C10H16N2O3
1168	Val-val (Geo)	C10H20N2O3
1169	Ile-ile (Geo)	C12H24N2O3
1170	Naphthoquinone dye (Torsion angle) (Geo)	C21H20N2O3
1171	1,3,5-Triazine-2,4,6(1H,3H,5H)-trione	C3H3N3O3
1172	1,3,5-Trimethyl-s-triazine-2,4,6-trione	C6H9N3O3
1173	2,4,6-Trimethoxy-s-triazine	C6H9N3O3

ΔH_f: -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.

  

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