Geometry & MOs

Info

ID:	250328
PubChem CID:	103095719
Reduced:	ClOSN3C10H12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	286.087291
ΔH_f, kcal/mol:	28.43
Dipole, Da:	2.31
IP(EA), eV:	-9.8(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=C(N=CS2)C)Cl

DOS

IR

Vibrations