Geometry & MOs

Info

ID:	153558
PubChem CID:	56312806
Reduced:	FSN3O5C21H22 (1)
Stoich.:	ABC3D5E21F22 (1)
Weight, g/mol:	480.223592
ΔH_f, kcal/mol:	-159.48
Dipole, Da:	5.36
IP(EA), eV:	-8.7(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NC2=CC(=C(C=C2)OC)NS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations