Geometry & MOs

Info

ID:	141268
PubChem CID:	52850911
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	314.124212
ΔH_f, kcal/mol:	-77.46
Dipole, Da:	5.74
IP(EA), eV:	-8.5(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-methyl-N-(4-methylphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C)C(=O)C2=CC=CC=C2OCCOC

DOS

IR

Vibrations