Geometry & MOs

Info

ID:	174993
PubChem CID:	75842980
Reduced:	N2O2F3C16H22 (1)
Stoich.:	A2B2C3D16E22 (1)
Weight, g/mol:	330.155512
ΔH_f, kcal/mol:	-201.86
Dipole, Da:	2.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761221
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1CCC[NH+]1CC2=CC(=CC=C2)OCC(F)(F)F

DOS

IR

Vibrations