Geometry & MOs

Info

ID:	277243
PubChem CID:	103827447
Reduced:	ON4H10C15 (1)
Stoich.:	AB4C10D15 (1)
Weight, g/mol:	253.121512
ΔH_f, kcal/mol:	118.51
Dipole, Da:	4.38
IP(EA), eV:	-9.93(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)C2=NC(=NO2)C3=CC=CC=N3

DOS

IR

Vibrations