Geometry & MOs

Info

ID:	15870
PubChem CID:	454002
Reduced:	BrO2N4C9H13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	288.02219
ΔH_f, kcal/mol:	-68.03
Dipole, Da:	0.48
IP(EA), eV:	-9.56(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methoxypurin-9-yl)propan-1-ol;hydrobromide

Drug info:

PubChemData

Smile

CC(CO)N1C=NC2=C1N=CN=C2OC.Br

DOS

IR

Vibrations