Geometry & MOs

Info

ID:	11463
PubChem CID:	115916
Reduced:	ClNOC11H17 (2)
Stoich.:	ABCD11E17 (2)
Weight, g/mol:	428.199734
ΔH_f, kcal/mol:	-46.7
Dipole, Da:	6.42
IP(EA), eV:	-7.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[6-[4-(2-aminoethyl)phenoxy]hexoxy]phenyl]ethanamine;dihydrochloride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCN)OCCCCCCOC2=CC=C(C=C2)CCN.Cl.Cl

DOS

IR

Vibrations