Geometry & MOs

Info

ID:	169718
PubChem CID:	75141454
Reduced:	ClO3N4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	438.182254
ΔH_f, kcal/mol:	-68.41
Dipole, Da:	6.13
IP(EA), eV:	-9.16(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations