Geometry & MOs

Info

ID:	250365
PubChem CID:	103096059
Reduced:	ClN2O2C9H15 (1)
Stoich.:	AB2C2D9E15 (1)
Weight, g/mol:	230.118591
ΔH_f, kcal/mol:	-49.9
Dipole, Da:	4.04
IP(EA), eV:	-10.28(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(2-methylbutan-2-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)CCOC)Cl

DOS

IR

Vibrations