Geometry & MOs

Info

ID:	14536
PubChem CID:	414019
Reduced:	BrH3N4C5 (1)
Stoich.:	AB3C4D5 (1)
Weight, g/mol:	197.95411
ΔH_f, kcal/mol:	104.79
Dipole, Da:	2.55
IP(EA), eV:	-10.82(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5H-purine

Drug info:

PubChemData

Smile

C1=NC(=NC2=NC=NC21)Br

DOS

IR

Vibrations