Geometry & MOs

Info

ID:	53566
PubChem CID:	14716679
Reduced:	O5H9F11C19 (1)
Stoich.:	A5B9C11D19 (1)
Weight, g/mol:	322.119207
ΔH_f, kcal/mol:	-705.37
Dipole, Da:	3.03
IP(EA), eV:	-9.91(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octyl 2,3,5,6-tetrafluoro-4-hydroxybenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(C=C2)OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)C(=O)O

DOS

IR

Vibrations