Geometry & MOs

Info

ID:	71350
PubChem CID:	48414668
Reduced:	SO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	298.113984
ΔH_f, kcal/mol:	-33.25
Dipole, Da:	1.69
IP(EA), eV:	-8.97(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzothiophen-2-yl-(4-but-3-ynylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CN2CCSC2=O

DOS

IR

Vibrations