Geometry & MOs

Info

ID:	335768
PubChem CID:	127254630
Reduced:	NO2Cl3C18H27 (2)
Stoich.:	AB2C3D18E27 (2)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-265.31
Dipole, Da:	4.69
IP(EA), eV:	-8.98(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzylpiperidin-1-yl)-5-(3-oxopiperazin-1-yl)pentane-1,5-dione

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)C(CCC(CN(CCCl)CCCl)C(=O)C2=CC=C(C=C2)OCCCC)CN(CCCl)CCCl.Cl.Cl

DOS

IR

Vibrations