Geometry & MOs

Info

ID:	294392
PubChem CID:	117457582
Reduced:	O3N4H12C14 (1)
Stoich.:	A3B4C12D14 (1)
Weight, g/mol:	284.006321
ΔH_f, kcal/mol:	-36.83
Dipole, Da:	6.31
IP(EA), eV:	-9.13(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)O)C2=CC=CC=C2N3C=CNC3=O

DOS

IR

Vibrations