Geometry & MOs

Info

ID:	282174
PubChem CID:	103917921
Reduced:	ON4C10H18 (1)
Stoich.:	AB4C10D18 (1)
Weight, g/mol:	353.95192
ΔH_f, kcal/mol:	4.0
Dipole, Da:	6.13
IP(EA), eV:	-9.11(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-bromo-4-chlorophenyl)-3-methyl-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

CCOC1CC(C1)NCC2=NN(C=N2)C

DOS

IR

Vibrations