Geometry & MOs

Info

ID:	169721
PubChem CID:	75141457
Reduced:	Cl2O2N4C23H24 (1)
Stoich.:	A2B2C4D23E24 (1)
Weight, g/mol:	438.182254
ΔH_f, kcal/mol:	-32.99
Dipole, Da:	4.05
IP(EA), eV:	-9.59(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-1-(3-methylbutyl)-7-[(2-methylphenyl)methyl]-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)CCN1C(=O)C2C(N=CN2CC3=CC(=CC=C3)Cl)N(C1=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations