Geometry & MOs

Info

ID:	250309
PubChem CID:	103095570
Reduced:	ClION2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	282.07712
ΔH_f, kcal/mol:	49.25
Dipole, Da:	4.18
IP(EA), eV:	-9.77(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=CC=CC=C2I)Cl

DOS

IR

Vibrations