Geometry & MOs

Info

ID:	3843
PubChem CID:	10291
Reduced:	O3H5N5C6 (1)
Stoich.:	A3B5C5D6 (1)
Weight, g/mol:	195.039239
ΔH_f, kcal/mol:	-67.85
Dipole, Da:	9.24
IP(EA), eV:	-9.26(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5,8-dihydro-1H-pteridine-4,6,7-trione

Drug info:

PubChemData

Smile

C12=C(NC(=O)C(=O)N1)NC(=NC2=O)N

DOS

IR

Vibrations