Geometry & MOs

Info

ID:	285229
PubChem CID:	104098738
Reduced:	ON2F5H5C8 (1)
Stoich.:	AB2C5D5E8 (1)
Weight, g/mol:	338.96548
ΔH_f, kcal/mol:	-247.18
Dipole, Da:	0.98
IP(EA), eV:	-10.25(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(3-fluoropyridin-4-yl)-5-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CN=CC(=C1NC(=O)C(C(F)F)(F)F)F

DOS

IR

Vibrations