Geometry & MOs

Info

ID:	223677
PubChem CID:	85335407
Reduced:	N3O4F5H20C22 (1)
Stoich.:	A3B4C5D20E22 (1)
Weight, g/mol:	485.142563
ΔH_f, kcal/mol:	-358.44
Dipole, Da:	1.42
IP(EA), eV:	-9.29(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-ethylphenoxy)-N-[3-(trifluoromethyl)phenoxy]anilino]-1,1,1-trifluoropropan-2-ol

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)C2=C(C(=CC=C2)F)NC(=O)OC)F)NC(=O)C3(CC3)NC(=O)C(F)(F)F

DOS

IR

Vibrations