Geometry & MOs

Info

ID:	71709
PubChem CID:	48415243
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	240.129634
ΔH_f, kcal/mol:	-33.38
Dipole, Da:	5.89
IP(EA), eV:	-8.77(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-methylsulfanylpropan-1-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CNC(=O)C2=CNC3=CC=CC=C3C2=O

DOS

IR

Vibrations