Geometry & MOs

Info

ID:	195565
PubChem CID:	78701793
Reduced:	SF2N2O2C22H22 (1)
Stoich.:	AB2C2D2E22F22 (1)
Weight, g/mol:	417.15811
ΔH_f, kcal/mol:	-112.67
Dipole, Da:	5.73
IP(EA), eV:	-9.02(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)OC(F)F)CC(=O)NC(C2=CC=CC=C2)C3=CC=CS3

DOS

IR

Vibrations