Geometry & MOs

Info

ID:	250299
PubChem CID:	103095458
Reduced:	BrClOSN2C10H10 (1)
Stoich.:	ABCDE2F10G10 (1)
Weight, g/mol:	224.046489
ΔH_f, kcal/mol:	33.27
Dipole, Da:	3.32
IP(EA), eV:	-9.56(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chloropropyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=CC(=C(S2)Br)C)Cl

DOS

IR

Vibrations