Geometry & MOs

Info

ID:	167287
PubChem CID:	74803821
Reduced:	N2F3O4H19C20 (1)
Stoich.:	A2B3C4D19E20 (1)
Weight, g/mol:	393.178988
ΔH_f, kcal/mol:	-270.95
Dipole, Da:	4.08
IP(EA), eV:	-9.4(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]ethyl-[2-(4-fluorophenoxy)ethyl]azanium

Drug info:

PubChemData

Smile

C1C(NCC(C1=O)OCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations