Geometry & MOs

Info

ID:	388229
PubChem CID:	134988559
Reduced:	BrClOSC11H12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	160.014742
ΔH_f, kcal/mol:	-12.64
Dipole, Da:	3.01
IP(EA), eV:	-8.53(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,4,4-tetrafluoro-4-hydroxybutan-2-one

Drug info:

PubChemData

Smile

CCCS/C=C(\OC1=CC=C(C=C1)Br)/Cl

DOS

IR

Vibrations