Geometry & MOs

Info

ID:	72842
PubChem CID:	48416605
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	389.181152
ΔH_f, kcal/mol:	-79.08
Dipole, Da:	8.19
IP(EA), eV:	-9.33(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-1-[2-oxo-2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]purine-2,6-dione

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC(C1)N2CCNC2=O)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations