Geometry & MOs

Info

ID:	26808
PubChem CID:	798622
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	328.128388
ΔH_f, kcal/mol:	-43.09
Dipole, Da:	2.37
IP(EA), eV:	-8.98(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methylpyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OCC(=O)NCC2=CC=NC=C2

DOS

IR

Vibrations