Geometry & MOs

Info

ID:	6749
PubChem CID:	69846
Reduced:	BrH3N4C5 (1)
Stoich.:	AB3C4D5 (1)
Weight, g/mol:	197.95411
ΔH_f, kcal/mol:	91.12
Dipole, Da:	6.93
IP(EA), eV:	-9.94(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-1H-purine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations