Geometry & MOs

Info

ID:	156512
PubChem CID:	56370932
Reduced:	BrFNSO3C20H23 (1)
Stoich.:	ABCDE3F20G23 (1)
Weight, g/mol:	411.240959
ΔH_f, kcal/mol:	-143.26
Dipole, Da:	2.69
IP(EA), eV:	-9.73(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-2-phenylmethoxypropan-1-one

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C(C)(C)S(=O)(=O)C1=CC=C(C=C1)Br)C2=CC=CC=C2F

DOS

IR

Vibrations