Geometry & MOs

Info

ID:	419073
PubChem CID:	135107435
Reduced:	NO2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	347.203134
ΔH_f, kcal/mol:	-155.2
Dipole, Da:	5.32
IP(EA), eV:	-8.77(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CCOCCOC1=CC=CC(=C1)C(=O)N2CCN(C(C2)CCO)C

DOS

IR

Vibrations