Geometry & MOs

Info

ID:	8609
PubChem CID:	79540
Reduced:	Cl2H2N4C5 (1)
Stoich.:	A2B2C4D5 (1)
Weight, g/mol:	187.965652
ΔH_f, kcal/mol:	86.67
Dipole, Da:	6.28
IP(EA), eV:	-10.01(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-1H-purine

Drug info:

PubChemData

Smile

C1=NC2=C(NC(=NC2=N1)Cl)Cl

DOS

IR

Vibrations