Geometry & MOs

Info

ID:	372305
PubChem CID:	131296040
Reduced:	BrO2F3H6C8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	333.86388
ΔH_f, kcal/mol:	-223.58
Dipole, Da:	4.55
IP(EA), eV:	-9.96(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(bromomethyl)-5-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(F)(F)F)CO)O)Br

DOS

IR

Vibrations