Geometry & MOs

Info

ID:	192022
PubChem CID:	78214809
Reduced:	O2N4H6C9 (1)
Stoich.:	A2B4C6D9 (1)
Weight, g/mol:	358.151529
ΔH_f, kcal/mol:	38.17
Dipole, Da:	6.01
IP(EA), eV:	-9.82(-2.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1,3-dimethyl-2,6-dioxo-5H-purin-9-ium-9-yl)-N-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC2=NC(=NC(=O)N)C(=O)N=C2C=C1

DOS

IR

Vibrations