Geometry & MOs

Info

ID:	250313
PubChem CID:	103095596
Reduced:	OCl2N2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	228.027725
ΔH_f, kcal/mol:	9.61
Dipole, Da:	2.67
IP(EA), eV:	-9.72(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations