Geometry & MOs

Info

ID:	260477
PubChem CID:	103192925
Reduced:	BrON2F3H10C12 (1)
Stoich.:	ABC2D3E10F12 (1)
Weight, g/mol:	360.99253
ΔH_f, kcal/mol:	-153.35
Dipole, Da:	5.02
IP(EA), eV:	-8.67(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-bromo-2-(trifluoromethoxy)anilino]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)OC(F)(F)F)NCC2=CNC=C2

DOS

IR

Vibrations