Geometry & MOs

Info

ID:	250301
PubChem CID:	103095499
Reduced:	BrClON2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	254.062219
ΔH_f, kcal/mol:	24.18
Dipole, Da:	4.82
IP(EA), eV:	-9.73(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chloropropyl)-5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations