Geometry & MOs

Info

ID:	243952
PubChem CID:	99302988
Reduced:	OCl2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	464.153656
ΔH_f, kcal/mol:	35.61
Dipole, Da:	9.18
IP(EA), eV:	-8.2(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenoxy)-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]butanamide

Drug info:

PubChemData

Smile

C1CN(C[C@H]1CNC(=O)C2=NN(C=C2)C3=CC=CC=C3Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations