Geometry & MOs

Info

ID:	397098
PubChem CID:	135029727
Reduced:	NO2F6H23C34 (1)
Stoich.:	AB2C6D23E34 (1)
Weight, g/mol:	551.225898
ΔH_f, kcal/mol:	-273.63
Dipole, Da:	4.79
IP(EA), eV:	-9.48(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,5-bis(4-tert-butylphenyl)-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)C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F

DOS

IR

Vibrations