Geometry & MOs

Info

ID:	371699
PubChem CID:	131270695
Reduced:	FNBr2O3H4C8 (1)
Stoich.:	ABC2D3E4F8 (1)
Weight, g/mol:	398.83789
ΔH_f, kcal/mol:	-51.82
Dipole, Da:	2.74
IP(EA), eV:	-10.7(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(=O)CBr)Br)F)[N+](=O)[O-]

DOS

IR

Vibrations