Geometry & MOs

Info

ID:	192635
PubChem CID:	78294649
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	324.167179
ΔH_f, kcal/mol:	-120.12
Dipole, Da:	5.32
IP(EA), eV:	-8.78(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC2C(=NC3=C(C2=O)C=C(C=C3)C(=O)OCC)C

DOS

IR

Vibrations