Geometry & MOs

Info

ID:	250335
PubChem CID:	103095786
Reduced:	ClOSN2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	278.082205
ΔH_f, kcal/mol:	43.02
Dipole, Da:	2.99
IP(EA), eV:	-9.06(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=CSC3=CC=CC=C32)Cl

DOS

IR

Vibrations