Geometry & MOs

Info

ID:	406683
PubChem CID:	135078350
Reduced:	FNO4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	348.925618
ΔH_f, kcal/mol:	-181.6
Dipole, Da:	1.78
IP(EA), eV:	-9.77(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl 3-acetyloxypyridin-1-ium-1-carboxylate;chloride

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)OCC)N=CC1=CC=CC=C1F

DOS

IR

Vibrations