Geometry & MOs

Info

ID:	71522
PubChem CID:	48414990
Reduced:	OSN2C18H24 (1)
Stoich.:	ABC2D18E24 (1)
Weight, g/mol:	290.145285
ΔH_f, kcal/mol:	16.28
Dipole, Da:	2.37
IP(EA), eV:	-8.82(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CSCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations