Geometry & MOs

Info

ID:	397097
PubChem CID:	135029725
Reduced:	NO2F8H13C22 (1)
Stoich.:	AB2C8D13E22 (1)
Weight, g/mol:	591.163298
ΔH_f, kcal/mol:	-413.37
Dipole, Da:	4.94
IP(EA), eV:	-10.19(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,5-bis(4-phenylphenyl)-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=C2F)C3=CC=CC=C3F)C(F)(F)F

DOS

IR

Vibrations