Geometry & MOs

Info

ID:	153348
PubChem CID:	56312533
Reduced:	BrO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	404.01202
ΔH_f, kcal/mol:	-48.31
Dipole, Da:	3.89
IP(EA), eV:	-9.24(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C)CC(=O)NC1=CC=CC(=C1)C(=O)NC2=NC=C(C=C2)Br

DOS

IR

Vibrations