Geometry & MOs

Info

ID:	53622
PubChem CID:	14717642
Reduced:	O3F7H9C12 (1)
Stoich.:	A3B7C9D12 (1)
Weight, g/mol:	320.028341
ΔH_f, kcal/mol:	-455.6
Dipole, Da:	0.7
IP(EA), eV:	-9.82(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2,3,3,4,4,4-heptafluorobutoxy)benzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)OCC(C(C(F)(F)F)(F)F)(F)F

DOS

IR

Vibrations