Geometry & MOs

Info

ID:	32492
PubChem CID:	7838932
Reduced:	ClNF3O3H13C17 (1)
Stoich.:	ABC3D3E13F17 (1)
Weight, g/mol:	351.108228
ΔH_f, kcal/mol:	-254.49
Dipole, Da:	3.38
IP(EA), eV:	-8.87(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-ethylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)C(F)(F)F)Cl

DOS

IR

Vibrations