Geometry & MOs

Info

ID:	191720
PubChem CID:	78181536
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	222.062714
ΔH_f, kcal/mol:	-142.16
Dipole, Da:	3.12
IP(EA), eV:	-9.07(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1-methyl-2,6-dioxopurin-3-ium-3-yl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=O)N2C3CCCCC3N4C2=C1C(=O)N(C4=O)C)CC5=CC=CC=C5

DOS

IR

Vibrations