Geometry & MOs

Info

ID:	375207
PubChem CID:	131472856
Reduced:	NF3O3H6C8 (1)
Stoich.:	AB3C3D6E8 (1)
Weight, g/mol:	221.029978
ΔH_f, kcal/mol:	-257.22
Dipole, Da:	2.01
IP(EA), eV:	-10.18(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1CC(=O)O)C(F)(F)F)O

DOS

IR

Vibrations