Geometry & MOs

Info

ID:	233426
PubChem CID:	90271501
Reduced:	NOF2H4C6 (2)
Stoich.:	ABC2D4E6 (2)
Weight, g/mol:	265.038434
ΔH_f, kcal/mol:	-224.07
Dipole, Da:	9.79
IP(EA), eV:	-10.4(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethylsulfanyl-3-(2,2,2-trifluoroethyl)pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)O)C2=C(C=CC=C2F)C(F)(F)F

DOS

IR

Vibrations