Geometry & MOs

Info

ID:	165190
PubChem CID:	74514037
Reduced:	ClNO4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	344.135879
ΔH_f, kcal/mol:	-114.63
Dipole, Da:	3.57
IP(EA), eV:	-8.49(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)-N-(2-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1Cl)C=CC(=O)NC2=CC=CC=C2OC)OC

DOS

IR

Vibrations