Geometry & MOs

Info

ID:	371901
PubChem CID:	131278101
Reduced:	BrClO2C8H8 (1)
Stoich.:	ABC2D8E8 (1)
Weight, g/mol:	249.93962
ΔH_f, kcal/mol:	-69.38
Dipole, Da:	0.97
IP(EA), eV:	-9.26(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-(chloromethyl)-5-methoxyphenol

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1Br)O)CCl

DOS

IR

Vibrations