Geometry & MOs

Info

ID:	164914
PubChem CID:	74470841
Reduced:	ON6C32H44 (1)
Stoich.:	AB6C32D44 (1)
Weight, g/mol:	174.173213
ΔH_f, kcal/mol:	25.98
Dipole, Da:	8.48
IP(EA), eV:	-9.34(0.01)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[2-hydroxy-3-(3-methylpiperidin-1-ium-1-yl)propyl]azanium

Drug info:

PubChemData

Smile

CCC(C1=NN=NN1CCC2=CC=CC=C2)N(CCC3=CC=CC=C3)CC4CC5CCC(C(C5NC4=O)C)C

DOS

IR

Vibrations