Geometry & MOs

Info

ID:	370491
PubChem CID:	127339026
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	334.138953
ΔH_f, kcal/mol:	-115.71
Dipole, Da:	3.41
IP(EA), eV:	-9.05(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CC=C(C=C2)C(=O)NC3CCN(C3=O)C

DOS

IR

Vibrations