Geometry & MOs

Info

ID:	372874
PubChem CID:	131306418
Reduced:	O3F4H6C9 (1)
Stoich.:	A3B4C6D9 (1)
Weight, g/mol:	238.025307
ΔH_f, kcal/mol:	-317.69
Dipole, Da:	4.65
IP(EA), eV:	-10.4(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-3-methyl-2-(trifluoromethoxy)benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)OC(F)(F)F)C(=O)O

DOS

IR

Vibrations