Geometry & MOs

Info

ID:	89199
PubChem CID:	49959878
Reduced:	ClN2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	242.141913
ΔH_f, kcal/mol:	-27.82
Dipole, Da:	4.07
IP(EA), eV:	-9.14(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-5-cyclopropyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NN=C(O2)COC3=CC=CC=C3Cl

DOS

IR

Vibrations