Geometry & MOs

Info

ID:	70334
PubChem CID:	48413206
Reduced:	SN2O3C18H26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	366.161329
ΔH_f, kcal/mol:	-57.56
Dipole, Da:	7.6
IP(EA), eV:	-8.78(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylpiperazine

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations