Geometry & MOs

Info

ID:	371948
PubChem CID:	131281960
Reduced:	BrOF3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	233.94471
ΔH_f, kcal/mol:	-193.9
Dipole, Da:	3.2
IP(EA), eV:	-10.08(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(chloromethyl)-5-methylphenol

Drug info:

PubChemData

Smile

CC(=O)CC1=C(C=C(C=C1)C(F)(F)F)CBr

DOS

IR

Vibrations