Geometry & MOs

Info

ID:	71524
PubChem CID:	48414999
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	290.118591
ΔH_f, kcal/mol:	-97.16
Dipole, Da:	3.91
IP(EA), eV:	-8.92(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-(2-chlorophenyl)ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations