Geometry & MOs

Info

ID:	7004
PubChem CID:	70963
Reduced:	Br2H2N4C5 (1)
Stoich.:	A2B2C4D5 (1)
Weight, g/mol:	277.86257
ΔH_f, kcal/mol:	80.47
Dipole, Da:	6.51
IP(EA), eV:	-10.03(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibromo-1H-purine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations