Geometry & MOs

Info

ID:	14171
PubChem CID:	405761
Reduced:	Cl2N5H11C13 (1)
Stoich.:	A2B5C11D13 (1)
Weight, g/mol:	307.039151
ΔH_f, kcal/mol:	76.93
Dipole, Da:	3.32
IP(EA), eV:	-9.06(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-9-[[4-(chloromethyl)phenyl]methyl]purin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C=NC3=C2N=C(N=C3Cl)N)CCl

DOS

IR

Vibrations