Geometry & MOs

Info

ID:	6567
PubChem CID:	68898
Reduced:	ClN4O5C19H21 (1)
Stoich.:	AB4C5D19E21 (1)
Weight, g/mol:	420.120047
ΔH_f, kcal/mol:	-166.05
Dipole, Da:	6.81
IP(EA), eV:	-9.12(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenoxy)-2-methylpropyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate

Drug info:

PubChemData

Smile

CC(C)(COC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations