Geometry & MOs

Info

ID:	353567
PubChem CID:	127285144
Reduced:	N3O3C17H27 (1)
Stoich.:	A3B3C17D27 (1)
Weight, g/mol:	388.185903
ΔH_f, kcal/mol:	-161.06
Dipole, Da:	5.74
IP(EA), eV:	-9.34(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-1-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]purine-2,6-dione

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CC(=O)N2CCC(CC2)N3CCCC3=O

DOS

IR

Vibrations