Geometry & MOs

Info

ID:	22653
PubChem CID:	598208
Reduced:	BrN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	310.03169
ΔH_f, kcal/mol:	-39.99
Dipole, Da:	3.9
IP(EA), eV:	-9.15(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC1=NN(C(=O)O1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations