Geometry & MOs

Info

ID:	153646
PubChem CID:	56312927
Reduced:	BrO2N3H16C21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	497.09502
ΔH_f, kcal/mol:	24.87
Dipole, Da:	4.54
IP(EA), eV:	-9.23(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[4-(2-ethoxyphenoxy)butanoylamino]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations