Geometry & MOs

Info

ID:	174211
PubChem CID:	75741533
Reduced:	ON5C24H32 (1)
Stoich.:	AB5C24D32 (1)
Weight, g/mol:	367.238553
ΔH_f, kcal/mol:	56.42
Dipole, Da:	1.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.917309
Charge, e:	1

Chem-info

IUPAC name:

4-(4-hydroxypiperidin-1-ium-1-yl)-1-[(4-phenylphenyl)methyl]piperidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=C(C=C2)OC)C(C)NC3CC[NH+](CC3)CC4=CC=CC=N4

DOS

IR

Vibrations