Geometry & MOs

Info

ID:	151911
PubChem CID:	56310736
Reduced:	FSN2O3C22H27 (1)
Stoich.:	ABC2D3E22F27 (1)
Weight, g/mol:	366.230728
ΔH_f, kcal/mol:	-138.32
Dipole, Da:	7.85
IP(EA), eV:	-8.91(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(2-methylphenoxy)propyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCCS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations