Geometry & MOs

Info

ID:	397096
PubChem CID:	135029724
Reduced:	NCl2O2F6H17C24 (1)
Stoich.:	AB2C2D6E17F24 (1)
Weight, g/mol:	475.081854
ΔH_f, kcal/mol:	-358.32
Dipole, Da:	6.07
IP(EA), eV:	-9.68(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,5-bis(2-fluorophenyl)-3,6-bis(trifluoromethyl)pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(C(=N1)C(F)(F)F)C2=CC(=C(C=C2)C)Cl)C3=CC(=C(C=C3)C)Cl)C(F)(F)F

DOS

IR

Vibrations