Geometry & MOs

Info

ID:	71294
PubChem CID:	48414582
Reduced:	OS2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	345.096955
ΔH_f, kcal/mol:	85.18
Dipole, Da:	4.93
IP(EA), eV:	-8.48(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

DOS

IR

Vibrations