Geometry & MOs

Info

ID:	260049
PubChem CID:	103179425
Reduced:	BrSO3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	258.194343
ΔH_f, kcal/mol:	-105.92
Dipole, Da:	4.05
IP(EA), eV:	-8.94(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-methoxypropoxy)ethylamino]-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

COCCCOCCOCC1=C(C=CS1)Br

DOS

IR

Vibrations