Geometry & MOs

Info

ID:	336194
PubChem CID:	127255201
Reduced:	OCl2N4H12C15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	407.161184
ΔH_f, kcal/mol:	52.68
Dipole, Da:	4.06
IP(EA), eV:	-9.88(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione

Drug info:

PubChemData

Smile

C1CC(OC1)C2=NN3C(=CC=NC3=N2)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations