Geometry & MOs

Info

ID:	22650
PubChem CID:	598204
Reduced:	BrN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	296.01604
ΔH_f, kcal/mol:	-35.85
Dipole, Da:	4.04
IP(EA), eV:	-9.18(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-5-butyl-1,3,4-oxadiazol-2-one

Drug info:

PubChemData

Smile

CCCCC1=NN(C(=O)O1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations