Geometry & MOs

Info

ID:	250304
PubChem CID:	103095528
Reduced:	ClN2O2C10H11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	244.134241
ΔH_f, kcal/mol:	-7.99
Dipole, Da:	4.17
IP(EA), eV:	-9.54(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chloropropyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=CC=C(O2)C)Cl

DOS

IR

Vibrations