Geometry & MOs

Info

ID:	71705
PubChem CID:	48415239
Reduced:	OSN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	284.188863
ΔH_f, kcal/mol:	40.22
Dipole, Da:	2.52
IP(EA), eV:	-8.92(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-4-phenylbutan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations