Geometry & MOs

Info

ID:	184220
PubChem CID:	77128527
Reduced:	ClNF6H6C9 (1)
Stoich.:	ABC6D6E9 (1)
Weight, g/mol:	251.040542
ΔH_f, kcal/mol:	-309.56
Dipole, Da:	1.43
IP(EA), eV:	-10.33(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[5-hydroxy-2-(trifluoromethoxy)phenyl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)C(C(F)(F)F)N)Cl

DOS

IR

Vibrations