Geometry & MOs

Info

ID:	260481
PubChem CID:	103193143
Reduced:	BrN2F3O3C12H14 (1)
Stoich.:	AB2C3D3E12F14 (1)
Weight, g/mol:	327.00818
ΔH_f, kcal/mol:	-262.34
Dipole, Da:	4.17
IP(EA), eV:	-9.06(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-bromo-2-(trifluoromethoxy)anilino]butan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations