Geometry & MOs

Info

ID:	6431
PubChem CID:	68603
Reduced:	ClNOC11H17 (2)
Stoich.:	ABCD11E17 (2)
Weight, g/mol:	428.199734
ΔH_f, kcal/mol:	-137.32
Dipole, Da:	4.53
IP(EA), eV:	-8.67(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[6-(2-phenylethylamino)hexylamino]ethyl]benzene-1,2-diol;dihydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNCCCCCCNCCC2=CC(=C(C=C2)O)O.Cl.Cl

DOS

IR

Vibrations