Geometry & MOs

Info

ID:	250332
PubChem CID:	103095765
Reduced:	ClON2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	300.102941
ΔH_f, kcal/mol:	-26.07
Dipole, Da:	3.13
IP(EA), eV:	-10.74(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)CC2CCCC2)Cl

DOS

IR

Vibrations