Geometry & MOs

Info

ID:	260483
PubChem CID:	103193220
Reduced:	BrNF3O3C12H15 (1)
Stoich.:	ABC3D3E12F15 (1)
Weight, g/mol:	388.99081
ΔH_f, kcal/mol:	-274.09
Dipole, Da:	3.46
IP(EA), eV:	-8.88(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(3-ethylsulfonylpropyl)-2-(trifluoromethoxy)aniline

Drug info:

PubChemData

Smile

CCOCC(CNC1=C(C=C(C=C1)Br)OC(F)(F)F)O

DOS

IR

Vibrations