Geometry & MOs

Info

ID:	175353
PubChem CID:	75886768
Reduced:	ClFON3C19H22 (1)
Stoich.:	ABCD3E19F22 (1)
Weight, g/mol:	456.189651
ΔH_f, kcal/mol:	-48.33
Dipole, Da:	6.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.114447
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC[NH+](C1)C(CNC(=O)NC2=CC(=C(C=C2)Cl)F)C3=CC=CC=C3

DOS

IR

Vibrations