Geometry & MOs

Info

ID:	267789
PubChem CID:	103589303
Reduced:	FNBr2O3H8C13 (1)
Stoich.:	ABC2D3E8F13 (1)
Weight, g/mol:	387.88812
ΔH_f, kcal/mol:	-33.22
Dipole, Da:	3.76
IP(EA), eV:	-9.97(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[(3-bromo-5-nitrophenoxy)methyl]pyridine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)Br)COC2=CC(=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations