Geometry & MOs

Info

ID:	71224
PubChem CID:	48414477
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	11.24
Dipole, Da:	5.99
IP(EA), eV:	-8.67(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NC(=CS2)CC(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations