Geometry & MOs

Info

ID:	88667
PubChem CID:	49956011
Reduced:	ClN2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	403.064994
ΔH_f, kcal/mol:	76.28
Dipole, Da:	3.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750025
Charge, e:	-1

Chem-info

IUPAC name:

1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCCNC2=CC=CC=C2.[Cl-]

DOS

IR

Vibrations