Geometry & MOs

Info

ID:	15874
PubChem CID:	454013
Reduced:	BrClON5C8H11 (1)
Stoich.:	ABCD5E8F11 (1)
Weight, g/mol:	306.98355
ΔH_f, kcal/mol:	-20.15
Dipole, Da:	5.13
IP(EA), eV:	-9.29(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-6-chloropurin-9-yl)propan-1-ol;hydrobromide

Drug info:

PubChemData

Smile

C1=NC2=C(N1CCCO)N=C(N=C2Cl)N.Br

DOS

IR

Vibrations