Geometry & MOs

Info

ID:	129255
PubChem CID:	51072072
Reduced:	OCl3N3C21H38 (1)
Stoich.:	AB3C3D21E38 (1)
Weight, g/mol:	328.110919
ΔH_f, kcal/mol:	-175.23
Dipole, Da:	7.49
IP(EA), eV:	-9.15(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-hydroxy-6-(2-phenylethyl)pyridin-1-ium-2-yl]methyl-dimethylazanium;dichloride

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C(=CC(=N1)CN2CCCCC2)CN3CCCCC3)O.Cl.Cl.Cl

DOS

IR

Vibrations