Geometry & MOs

Info

ID:	397099
PubChem CID:	135029728
Reduced:	NO2F6C30H31 (1)
Stoich.:	AB2C6D30E31 (1)
Weight, g/mol:	583.142956
ΔH_f, kcal/mol:	-368.46
Dipole, Da:	5.81
IP(EA), eV:	-9.58(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

DOS

IR

Vibrations