Geometry & MOs

Info

ID:	138297
PubChem CID:	52342498
Reduced:	ClN2O2C16H24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	352.193297
ΔH_f, kcal/mol:	-61.13
Dipole, Da:	4.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.143197
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]sulfonylpiperazine

Drug info:

PubChemData

Smile

CC[NH+](CCC(=O)N1CCOCC1)CC2=CC=CC=C2Cl

DOS

IR

Vibrations