Geometry & MOs

Info

ID:	259237
PubChem CID:	103162202
Reduced:	ClN2O2C12H19 (1)
Stoich.:	AB2C2D12E19 (1)
Weight, g/mol:	258.03678
ΔH_f, kcal/mol:	-66.85
Dipole, Da:	0.8
IP(EA), eV:	-9.82(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-bromopropyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC2=NN=C(O2)CCCCl

DOS

IR

Vibrations