Geometry & MOs

Info

ID:	351438
PubChem CID:	127280326
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	348.190989
ΔH_f, kcal/mol:	-141.77
Dipole, Da:	5.06
IP(EA), eV:	-8.26(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCN1CCCC1)C(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations