Geometry & MOs

Info

ID:	167325
PubChem CID:	74809933
Reduced:	ClO2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	283.238553
ΔH_f, kcal/mol:	1.29
Dipole, Da:	3.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752194
Charge, e:	1

Chem-info

IUPAC name:

1-(2,2-dimethylpropyl)-3-hydroxy-3-(piperidin-1-ium-1-ylmethyl)piperidin-2-one

Drug info:

PubChemData

Smile

CC[NH+]1CCC2(C1)CCN(C2)C(=O)C3=CC4=C(C=C3)OC(=N4)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations