Geometry & MOs

Info

ID:	71506
PubChem CID:	48414973
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	324.129634
ΔH_f, kcal/mol:	-12.62
Dipole, Da:	3.14
IP(EA), eV:	-8.92(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations