Geometry & MOs

Info

ID:	277245
PubChem CID:	103827455
Reduced:	ON3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	57.81
Dipole, Da:	3.52
IP(EA), eV:	-10.1(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)C2=C(C=C(C=C2)C#N)C

DOS

IR

Vibrations