Geometry & MOs

Info

ID:	250353
PubChem CID:	103095940
Reduced:	OCl2N2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	295.072369
ΔH_f, kcal/mol:	7.62
Dipole, Da:	4.5
IP(EA), eV:	-9.72(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(3-methyl-5-nitrophenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations