Geometry & MOs

Info

ID:	373151
PubChem CID:	131310750
Reduced:	BrIOF3H5C8 (1)
Stoich.:	ABCD3E5F8 (1)
Weight, g/mol:	379.85206
ΔH_f, kcal/mol:	-159.26
Dipole, Da:	4.69
IP(EA), eV:	-9.99(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-bromo-2-iodo-3-(trifluoromethyl)phenyl]methanol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1Br)C(F)(F)F)CO)I

DOS

IR

Vibrations