Geometry & MOs

Info

ID:	272499
PubChem CID:	103744009
Reduced:	BrO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	291.096754
ΔH_f, kcal/mol:	-1.76
Dipole, Da:	1.34
IP(EA), eV:	-9.75(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylamino)-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)C(=O)NCCC2=NC=NO2

DOS

IR

Vibrations