Geometry & MOs

Info

ID:	169726
PubChem CID:	75141462
Reduced:	ClO2N4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	424.166604
ΔH_f, kcal/mol:	-26.47
Dipole, Da:	5.49
IP(EA), eV:	-9.37(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2C(N=CN2CC=C)N(C1=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations