Geometry & MOs

Info

ID:	250330
PubChem CID:	103095743
Reduced:	ClN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	327.9978
ΔH_f, kcal/mol:	-32.41
Dipole, Da:	3.59
IP(EA), eV:	-9.19(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromo-5-methylphenyl)-3-(1-chlorobutyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=CC(=CC=C2)OC(C)C)Cl

DOS

IR

Vibrations