Geometry & MOs

Info

ID:	356975
PubChem CID:	127293041
Reduced:	ClN2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-101.83
Dipole, Da:	3.55
IP(EA), eV:	-8.81(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1-cyclopentylpyrrolidin-3-yl)amino]-4-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(C2)NC(=O)C3=CC4=C(C(=C3)Cl)OCO4

DOS

IR

Vibrations