Geometry & MOs

Info

ID:	71345
PubChem CID:	48414662
Reduced:	ClN3O3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	372.135304
ΔH_f, kcal/mol:	-49.17
Dipole, Da:	4.79
IP(EA), eV:	-9.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O

DOS

IR

Vibrations