Geometry & MOs

Info

ID:	374685
PubChem CID:	131342453
Reduced:	FNC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	259.94327
ΔH_f, kcal/mol:	-39.99
Dipole, Da:	5.48
IP(EA), eV:	-9.36(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-hydroxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

CNCCC1=C(C(=C(C=C1)C#N)F)F

DOS

IR

Vibrations