Geometry & MOs

Info

ID:	201548
PubChem CID:	79554410
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	294.028598
ΔH_f, kcal/mol:	-68.73
Dipole, Da:	4.68
IP(EA), eV:	-8.4(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfanylpyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1OCC2CC3CCC2C3)CN

DOS

IR

Vibrations