Geometry & MOs

Info

ID:	267761
PubChem CID:	103588660
Reduced:	BrN2F3O3H6C10 (1)
Stoich.:	AB2C3D3E6F10 (1)
Weight, g/mol:	365.94068
ΔH_f, kcal/mol:	-143.42
Dipole, Da:	3.45
IP(EA), eV:	-10.31(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-bromo-5-nitrophenoxy)methyl]-3-chlorobenzonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1OCC(C#N)C(F)(F)F)Br)[N+](=O)[O-]

DOS

IR

Vibrations