Geometry & MOs

Info

ID:	205713
PubChem CID:	80140634
Reduced:	ClON4C13H19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	399.95879
ΔH_f, kcal/mol:	-13.75
Dipole, Da:	2.67
IP(EA), eV:	-9.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(chloromethyl)-9-(2-iodophenyl)-6-methoxypurine

Drug info:

PubChemData

Smile

CCC(CC)N1C2=C(C(=NC=N2)OC)N=C1C(C)Cl

DOS

IR

Vibrations