Geometry & MOs

Info

ID:	175293
PubChem CID:	75880007
Reduced:	ON4C25H33 (1)
Stoich.:	AB4C25D33 (1)
Weight, g/mol:	438.115791
ΔH_f, kcal/mol:	20.99
Dipole, Da:	8.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.149272
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methoxyphenyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2N1CC(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC(C4)C

DOS

IR

Vibrations