Geometry & MOs

Info

ID:	397313
PubChem CID:	135030027
Reduced:	NO2F6H19C30 (1)
Stoich.:	AB2C6D19E30 (1)
Weight, g/mol:	507.022753
ΔH_f, kcal/mol:	-285.79
Dipole, Da:	4.52
IP(EA), eV:	-9.21(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,5-bis(2-chlorophenyl)-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=CC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54)C(F)(F)F

DOS

IR

Vibrations