Geometry & MOs

Info

ID:	22227
PubChem CID:	596335
Reduced:	OH2N2C3 (2)
Stoich.:	AB2C2D3 (2)
Weight, g/mol:	164.033425
ΔH_f, kcal/mol:	-13.28
Dipole, Da:	7.87
IP(EA), eV:	-9.88(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,8-dihydropteridine-4,7-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations