Geometry & MOs

Info

ID:	250364
PubChem CID:	103096041
Reduced:	OCl2N2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	218.082205
ΔH_f, kcal/mol:	16.22
Dipole, Da:	5.03
IP(EA), eV:	-9.95(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=CC=CC=C2Cl)Cl

DOS

IR

Vibrations