Geometry & MOs

Info

ID:	173660
PubChem CID:	75666931
Reduced:	NO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	388.198479
ΔH_f, kcal/mol:	-105.46
Dipole, Da:	3.45
IP(EA), eV:	-8.56(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(1,3-dimethyl-2,6-dioxo-5H-purin-7-ium-7-yl)-N-[4-(furan-2-yl)butan-2-yl]butanamide

Drug info:

PubChemData

Smile

CC=CC1=C(C(=CC(=C1)C(=O)NC2CCOC3=CC=CC=C23)OC)OC

DOS

IR

Vibrations