Geometry & MOs

Info

ID:	277244
PubChem CID:	103827454
Reduced:	ON3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	227.105862
ΔH_f, kcal/mol:	58.94
Dipole, Da:	3.58
IP(EA), eV:	-10.02(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)C2=NC(=NO2)C3CCCC3

DOS

IR

Vibrations