Geometry & MOs

Info

ID:	154807
PubChem CID:	56314332
Reduced:	BrN3O3H18C22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	412.05349
ΔH_f, kcal/mol:	-35.68
Dipole, Da:	2.39
IP(EA), eV:	-9.04(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[(1-cyanocyclopentanecarbonyl)amino]benzamide

Drug info:

PubChemData

Smile

C1C(COC2=CC=CC=C21)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations