Geometry & MOs

Info

ID:	154808
PubChem CID:	56314333
Reduced:	BrO2N4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	477.08004
ΔH_f, kcal/mol:	3.6
Dipole, Da:	3.2
IP(EA), eV:	-9.34(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations