Geometry & MOs

Info

ID:	250354
PubChem CID:	103095941
Reduced:	ClN3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	204.066555
ΔH_f, kcal/mol:	11.56
Dipole, Da:	5.61
IP(EA), eV:	-10.49(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=CC(=CC(=C2)C)[N+](=O)[O-])Cl

DOS

IR

Vibrations