Geometry & MOs

Info

ID:	28843
PubChem CID:	830014
Reduced:	ClNH5C7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	62.81
Dipole, Da:	6.6
IP(EA), eV:	-8.52(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(benzylamino)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=N)N1C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations