Geometry & MOs

Info

ID:	250325
PubChem CID:	103095712
Reduced:	ClN3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	280.097855
ΔH_f, kcal/mol:	15.93
Dipole, Da:	4.88
IP(EA), eV:	-10.54(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations