Geometry & MOs

Info

ID:	143570
PubChem CID:	53228171
Reduced:	ClO4H11C15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	299.056941
ΔH_f, kcal/mol:	-136.42
Dipole, Da:	6.65
IP(EA), eV:	-9.87(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[2-fluoro-3-(trifluoromethyl)phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC(=C(C=C2)Cl)C(=O)O)C(=O)O

DOS

IR

Vibrations