Geometry & MOs

Info

ID:	371706
PubChem CID:	131270846
Reduced:	BrH2N2F3O4C6 (1)
Stoich.:	AB2C2D3E4F6 (1)
Weight, g/mol:	255.986254
ΔH_f, kcal/mol:	-198.93
Dipole, Da:	5.02
IP(EA), eV:	-10.64(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)[N+](=O)[O-])Br)OC(F)(F)F)O

DOS

IR

Vibrations