4-amino-2(1h)-pyrimidinone

4-amino-2(1h)-pyrimidinone 1024 4-Amino-2(1H)-pyrimidinone

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#	Species	Formula
1014	Urea	CH4N2O
1015	N-Methyl urea	C2H6N2O
1016	Dimethyl furazan	C4H6N2O
1017	Isopropylurea	C4H10N2O
1018	5-Amino-3,4-dimethylisoxazole	C5H8N2O
1019	(1-Methylpropyl) urea	C5H12N2O
1020	N,N-diethylurea	C5H12N2O
1021	Tetramethylurea	C5H12N2O
1022	CEB (Torsion angle) (Geo)	C13H12N2O
1023	1D88_B3P (Torsion angle) (Geo)	C14H14N2O
1024	4-Amino-2(1H)-pyrimidinone	C4H5N3O
1025	2ME_B3P (Torsion angle) (Geo)	C22H26N4O
1026	Oxygen, triplet state (Geo)	O2
1027	Oxygen (Singlet)	O2
1028	Oxygen (Triplet)	O2
1029	Hydrogen peroxide (Geo)	H2O2
1030	Hydrogen peroxide	H2O2
1031	LiOH.H2O	H3LiO2
1032	LiOH.H2O (Geo)	H3LiO2
1033	Li(+)(H2O)2	H4LiO2
1034	Li(+)(H2O)2 (Geo)	H4LiO2

ΔH_f: -14.2 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
4-Amino-2(1H)-pyrimidinone
 H=-14.2 HR=NIST
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.35033079 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39371894 +1  122.9742137 +1    0.0000000 +0     2     1     0
  C     1.41906453 +1  117.2476086 +1    0.0189406 +1     3     2     1
  N     1.36922792 +1  121.1976623 +1    0.0190651 +1     4     3     2
  C     1.35825339 +1  115.7813281 +1   -0.0378429 +1     5     4     3
  O     1.34071564 +1  117.1961707 +1  179.9702247 +1     6     5     4
  N     1.36652344 +1  122.8544746 +1 -179.9917552 +1     4     3     5
  H     1.09929360 +1  115.0702749 +1 -179.9863455 +1     2     1     3
  H     1.07895299 +1  121.3393058 +1  179.9998010 +1     3     2     4
  H     1.00691969 +1  110.4874319 +1    0.0004991 +1     7     6     5
  H     1.00157270 +1  120.2817068 +1 -179.9937165 +1     8     4     3
  H     0.99524272 +1  121.2653269 +1 -179.9985473 +1     8     4    12