Geometry & MOs

Info

ID:	292323
PubChem CID:	114916774
Reduced:	ClNO3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	254.991005
ΔH_f, kcal/mol:	-70.52
Dipole, Da:	5.33
IP(EA), eV:	-9.71(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=NC=C(C(=C2)C(=O)O)Cl

DOS

IR

Vibrations