Geometry & MOs

Info

ID:	198319
PubChem CID:	79085765
Reduced:	ClON4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	249.15896
ΔH_f, kcal/mol:	6.2
Dipole, Da:	8.24
IP(EA), eV:	-9.22(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2-carbonitrile

Drug info:

PubChemData

Smile

C1CN(C(CN1)C#N)CCC(=O)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations