Geometry & MOs

Info

ID:	374764
PubChem CID:	131342650
Reduced:	NOCl2F3H6C8 (1)
Stoich.:	ABC2D3E6F8 (1)
Weight, g/mol:	258.977854
ΔH_f, kcal/mol:	-196.79
Dipole, Da:	3.81
IP(EA), eV:	-9.97(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-(chloromethyl)-3-methyl-2-(trifluoromethoxy)pyridine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1CCl)OC(F)(F)F)Cl

DOS

IR

Vibrations