Geometry & MOs

Info

ID:	26965
PubChem CID:	806859
Reduced:	SN2O3C13H24 (1)
Stoich.:	AB2C3D13E24 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	-155.11
Dipole, Da:	4.65
IP(EA), eV:	-9.21(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)C(=O)CCC2CCCC2

DOS

IR

Vibrations