Geometry & MOs

Info

ID:	27565
PubChem CID:	822208
Reduced:	ClO2N4C9H9 (1)
Stoich.:	AB2C4D9E9 (1)
Weight, g/mol:	208.05964
ΔH_f, kcal/mol:	-44.47
Dipole, Da:	2.62
IP(EA), eV:	-9.65(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-8H-pteridine-2,4,7-trione

Drug info:

PubChemData

Smile

CC1=C(N=C2C(=N1)C(=O)N(C(=O)N2C)C)Cl

DOS

IR

Vibrations