Geometry & MOs

Info

ID:	277155
PubChem CID:	103827066
Reduced:	BrClO2N3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	328.95667
ΔH_f, kcal/mol:	-58.03
Dipole, Da:	1.21
IP(EA), eV:	-9.58(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

C1CN2C(CNC2=O)CN1C(=O)C3=CC(=CC(=C3)Br)Cl

DOS

IR

Vibrations