Geometry & MOs

Info

ID:	285230
PubChem CID:	104098740
Reduced:	BrFN3O3H7C12 (1)
Stoich.:	ABC3D3E7F12 (1)
Weight, g/mol:	279.045547
ΔH_f, kcal/mol:	-24.98
Dipole, Da:	5.89
IP(EA), eV:	-9.78(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-(3-fluoropyridin-4-yl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NC2=C(C=NC=C2)F)Br

DOS

IR

Vibrations