Geometry & MOs

Info

ID:	441890
PubChem CID:	135246486
Reduced:	BrON2F3H6C11 (1)
Stoich.:	ABC2D3E6F11 (1)
Weight, g/mol:	331.97721
ΔH_f, kcal/mol:	-117.03
Dipole, Da:	6.65
IP(EA), eV:	-9.82(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromopyridin-2-yl)oxy-3-methyl-2-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)OC2=CN=C(C=C2)C(F)(F)F)Br

DOS

IR

Vibrations