Geometry & MOs

Info

ID:	34148
PubChem CID:	7890053
Reduced:	ClFNO3H17C21 (1)
Stoich.:	ABCD3E17F21 (1)
Weight, g/mol:	357.074341
ΔH_f, kcal/mol:	-114.3
Dipole, Da:	4.91
IP(EA), eV:	-9.01(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)COC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations