Geometry & MOs

Info

ID:	397094
PubChem CID:	135029718
Reduced:	NO2F6H15C22 (1)
Stoich.:	AB2C6D15E22 (1)
Weight, g/mol:	467.131998
ΔH_f, kcal/mol:	-319.33
Dipole, Da:	4.24
IP(EA), eV:	-10.02(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,5-bis(2-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=C2)C3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations