Geometry & MOs

Info

ID:	373150
PubChem CID:	131310744
Reduced:	BrO2F4H5C9 (1)
Stoich.:	AB2C4D5E9 (1)
Weight, g/mol:	379.85206
ΔH_f, kcal/mol:	-257.54
Dipole, Da:	4.06
IP(EA), eV:	-10.41(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1C(F)(F)F)F)Br

DOS

IR

Vibrations