Geometry & MOs

Info

ID:	34143
PubChem CID:	7890043
Reduced:	N2F3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	357.074341
ΔH_f, kcal/mol:	-290.49
Dipole, Da:	7.12
IP(EA), eV:	-9.58(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations