Geometry & MOs

Info

ID:	143573
PubChem CID:	53228585
Reduced:	NF3O3H16C19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	310.081679
ΔH_f, kcal/mol:	-241.9
Dipole, Da:	7.26
IP(EA), eV:	-9.65(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylbenzoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC=CC(=C2)C3=CC(=CC(=C3)C(F)(F)F)C(=O)O

DOS

IR

Vibrations