Geometry & MOs

Info

ID:	26738
PubChem CID:	796319
Reduced:	SN3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	344.155849
ΔH_f, kcal/mol:	57.89
Dipole, Da:	4.85
IP(EA), eV:	-8.3(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations