Geometry & MOs

Info

ID:	154390
PubChem CID:	56313813
Reduced:	BrFN3O3H21C24 (1)
Stoich.:	ABC3D3E21F24 (1)
Weight, g/mol:	464.0484
ΔH_f, kcal/mol:	-88.8
Dipole, Da:	2.97
IP(EA), eV:	-9.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[2-(3-cyanophenoxy)propanoylamino]benzamide

Drug info:

PubChemData

Smile

C1COCCC1(C2=CC(=CC=C2)F)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations