Geometry & MOs

Info

ID:	397095
PubChem CID:	135029723
Reduced:	NO2F6H19C24 (1)
Stoich.:	AB2C6D19E24 (1)
Weight, g/mol:	535.054053
ΔH_f, kcal/mol:	-338.5
Dipole, Da:	4.2
IP(EA), eV:	-9.68(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,5-bis(3-chloro-4-methylphenyl)-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=CC=C2C)C3=CC=CC=C3C)C(F)(F)F

DOS

IR

Vibrations