Geometry & MOs

Info

ID:	258434
PubChem CID:	103153974
Reduced:	ClON3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	222.122909
ΔH_f, kcal/mol:	-11.27
Dipole, Da:	5.35
IP(EA), eV:	-8.9(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-amino-2-methoxypropyl)-7H-purin-6-amine

Drug info:

PubChemData

Smile

COC(CC1=NC2=C(N1)C=CC=C2Cl)CN

DOS

IR

Vibrations