Geometry & MOs

Info

ID:	15985
PubChem CID:	457205
Reduced:	OSN2C19H28 (1)
Stoich.:	ABC2D19E28 (1)
Weight, g/mol:	332.192235
ΔH_f, kcal/mol:	18.32
Dipole, Da:	3.29
IP(EA), eV:	-8.3(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-butoxyphenyl)sulfanylbut-2-ynyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)SCC#CCN2CCN(CC2)C

DOS

IR

Vibrations