Geometry & MOs

Info

ID:	153953
PubChem CID:	56313308
Reduced:	BrN3O3H18C21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	439.05315
ΔH_f, kcal/mol:	-35.75
Dipole, Da:	3.86
IP(EA), eV:	-9.19(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations