Geometry & MOs

Info

ID:	374261
PubChem CID:	131325947
Reduced:	ClN2F3O3H4C7 (1)
Stoich.:	AB2C3D3E4F7 (1)
Weight, g/mol:	255.986254
ΔH_f, kcal/mol:	-256.84
Dipole, Da:	5.12
IP(EA), eV:	-9.49(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-chloro-3-(trifluoromethoxy)pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C(=NC(=C1N)Cl)OC(F)(F)F)C(=O)O

DOS

IR

Vibrations