Geometry & MOs

Info

ID:	67778
PubChem CID:	46507150
Reduced:	ClFON3H11C17 (1)
Stoich.:	ABCD3E11F17 (1)
Weight, g/mol:	338.093439
ΔH_f, kcal/mol:	-12.53
Dipole, Da:	3.23
IP(EA), eV:	-8.68(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(1H-benzimidazol-2-yl)propyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F)Cl

DOS

IR

Vibrations