Geometry & MOs

Info

ID:	146030
PubChem CID:	53625322
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	342.144038
ΔH_f, kcal/mol:	19.7
Dipole, Da:	3.92
IP(EA), eV:	-9.66(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrobenzonitrile

Drug info:

PubChemData

Smile

C1CCN(C(C1)CN2C=CC=N2)C(=O)CCC3=CC=NC=C3

DOS

IR

Vibrations