Geometry & MOs

Info

ID:	154810
PubChem CID:	56314335
Reduced:	BrN3O3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	401.07389
ΔH_f, kcal/mol:	-69.07
Dipole, Da:	3.5
IP(EA), eV:	-9.32(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCC1C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations