Geometry & MOs

Info

ID:	156520
PubChem CID:	56370980
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	402.237939
ΔH_f, kcal/mol:	9.92
Dipole, Da:	2.36
IP(EA), eV:	-8.75(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2CCC(C2)NC(=O)C3=CC=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations