Geometry & MOs

Info

ID:	276076
PubChem CID:	103820407
Reduced:	FN2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	333.97532
ΔH_f, kcal/mol:	-118.57
Dipole, Da:	5.75
IP(EA), eV:	-9.42(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(4-cyano-2-fluorophenyl)-2-hydroxybenzamide

Drug info:

PubChemData

Smile

COCCOCC(=O)NC1=C(C=C(C=C1)C#N)F

DOS

IR

Vibrations