Geometry & MOs

Info

ID:	71665
PubChem CID:	48415174
Reduced:	OSN2C18H24 (1)
Stoich.:	ABC2D18E24 (1)
Weight, g/mol:	336.106312
ΔH_f, kcal/mol:	20.95
Dipole, Da:	5.06
IP(EA), eV:	-8.88(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations