Geometry & MOs

Info

ID:	267759
PubChem CID:	103588656
Reduced:	BrN2O3H5C8 (1)
Stoich.:	AB2C3D5E8 (1)
Weight, g/mol:	349.97023
ΔH_f, kcal/mol:	22.76
Dipole, Da:	1.14
IP(EA), eV:	-10.27(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-bromo-5-nitrophenoxy)methyl]-5-fluorobenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations