Geometry & MOs

Info

ID:	250292
PubChem CID:	103095378
Reduced:	ClN3O3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	186.055991
ΔH_f, kcal/mol:	16.23
Dipole, Da:	5.23
IP(EA), eV:	-10.33(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=CC(=C(C=C2)C)[N+](=O)[O-])Cl

DOS

IR

Vibrations