Geometry & MOs

Info

ID:	83708
PubChem CID:	49860426
Reduced:	O2Cl4N5C35H65 (1)
Stoich.:	A2B4C5D35E65 (1)
Weight, g/mol:	408.181585
ΔH_f, kcal/mol:	-228.85
Dipole, Da:	1.01
IP(EA), eV:	-8.24(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethyl)benzene-1,2-diol;4-[(1R,6R)-2-azabicyclo[2.2.2]octan-6-yl]benzene-1,2-diol;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNCCCCCCNCCCCCCCNCCCCCCN(CC2=CC=CC=C2OC)N.Cl.Cl.Cl.Cl

DOS

IR

Vibrations