Geometry & MOs

Info

ID:	374914
PubChem CID:	131349746
Reduced:	IOF2H3C6 (1)
Stoich.:	ABC2D3E6 (1)
Weight, g/mol:	210.030392
ΔH_f, kcal/mol:	-90.05
Dipole, Da:	1.04
IP(EA), eV:	-9.58(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-(hydroxymethyl)-4-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1F)O)F)I

DOS

IR

Vibrations