Geometry & MOs

Info

ID:	25768
PubChem CID:	630509
Reduced:	NOH15C24 (1)
Stoich.:	ABC15D24 (1)
Weight, g/mol:	378.032678
ΔH_f, kcal/mol:	85.78
Dipole, Da:	3.86
IP(EA), eV:	-9.3(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-carboxy-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=C3C(=C2)C4=CC=CC=C4C3=O)C5=CC=CC=C5

DOS

IR

Vibrations