Geometry & MOs

Info

ID:	3814
PubChem CID:	10250
Reduced:	OH2N2C3 (2)
Stoich.:	AB2C2D3 (2)
Weight, g/mol:	164.033425
ΔH_f, kcal/mol:	-31.49
Dipole, Da:	3.87
IP(EA), eV:	-10.28(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-pteridine-2,4-dione

Drug info:

PubChemData

Smile

C1=CN=C2C(=N1)C(=O)NC(=O)N2

DOS

IR

Vibrations