Geometry & MOs

Info

ID:	138012
PubChem CID:	52299820
Reduced:	O2F3N3C22H24 (1)
Stoich.:	A2B3C3D22E24 (1)
Weight, g/mol:	419.182062
ΔH_f, kcal/mol:	-202.57
Dipole, Da:	6.06
IP(EA), eV:	-8.39(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-methylanilino)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

CN(CC(=O)N[C@@H](CN1CCCC1=O)C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations