Geometry & MOs

Info

ID:	4057
PubChem CID:	10661
Reduced:	ClO2N4C7H7 (1)
Stoich.:	AB2C4D7E7 (1)
Weight, g/mol:	214.025753
ΔH_f, kcal/mol:	-48.28
Dipole, Da:	2.2
IP(EA), eV:	-9.4(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-1,3-dimethyl-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl

DOS

IR

Vibrations