Geometry & MOs

Info

ID:	169701
PubChem CID:	75139922
Reduced:	ClO2N5C24H24 (1)
Stoich.:	AB2C5D24E24 (1)
Weight, g/mol:	444.111981
ΔH_f, kcal/mol:	8.73
Dipole, Da:	7.23
IP(EA), eV:	-9.49(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)-1-propan-2-yl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations