Geometry & MOs

Info

ID:	154703
PubChem CID:	56314208
Reduced:	BrN3O4H16C21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	450.03275
ΔH_f, kcal/mol:	-57.94
Dipole, Da:	4.06
IP(EA), eV:	-9.17(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations