Geometry & MOs

Info

ID:	153952
PubChem CID:	56313307
Reduced:	BrN3O4H18C21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	439.05315
ΔH_f, kcal/mol:	-73.8
Dipole, Da:	5.82
IP(EA), eV:	-8.95(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br)OC

DOS

IR

Vibrations