Geometry & MOs

Info

ID:	4091
PubChem CID:	10729
Reduced:	O2H5N5C6 (1)
Stoich.:	A2B5C5D6 (1)
Weight, g/mol:	179.044324
ΔH_f, kcal/mol:	-15.61
Dipole, Da:	8.49
IP(EA), eV:	-9.82(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1,8-dihydropteridine-4,7-dione

Drug info:

PubChemData

Smile

C1=NC2=C(NC1=O)NC(=NC2=O)N

DOS

IR

Vibrations