Geometry & MOs

Info

ID:	22436
PubChem CID:	597193
Reduced:	ON2C3H3 (2)
Stoich.:	AB2C3D3 (2)
Weight, g/mol:	166.049075
ΔH_f, kcal/mol:	-35.62
Dipole, Da:	7.88
IP(EA), eV:	-9.13(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5,7,8-tetrahydropteridine-4,6-dione

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(N1)NC=NC2=O

DOS

IR

Vibrations