Geometry & MOs

Info

ID:	250331
PubChem CID:	103095761
Reduced:	BrClON2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	242.118591
ΔH_f, kcal/mol:	16.98
Dipole, Da:	3.69
IP(EA), eV:	-9.96(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(cyclopentylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations