Geometry & MOs

Info

ID:	250359
PubChem CID:	103095985
Reduced:	ClN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	250.087291
ΔH_f, kcal/mol:	-29.19
Dipole, Da:	4.54
IP(EA), eV:	-8.94(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)CCC2=CC=C(C=C2)OC)Cl

DOS

IR

Vibrations