Geometry & MOs

Info

ID:	374918
PubChem CID:	131349757
Reduced:	ClIOF2H4C8 (1)
Stoich.:	ABCD2E4F8 (1)
Weight, g/mol:	299.9409
ΔH_f, kcal/mol:	-95.38
Dipole, Da:	2.09
IP(EA), eV:	-9.87(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-[4-fluoro-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations