Geometry & MOs

Info

ID:	351413
PubChem CID:	127280301
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	362.206639
ΔH_f, kcal/mol:	-148.89
Dipole, Da:	3.64
IP(EA), eV:	-8.97(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCN1CCCC1)C(=O)CN2C(=O)C3(CCCCC3)NC2=O

DOS

IR

Vibrations