Geometry & MOs

Info

ID:	12913
PubChem CID:	148277
Reduced:	OCl3N3C18H28 (1)
Stoich.:	AB3C3D18E28 (1)
Weight, g/mol:	407.129796
ΔH_f, kcal/mol:	-121.88
Dipole, Da:	2.29
IP(EA), eV:	-9.27(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloroethyl)-N'-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine;hydrate;dihydrochloride

Drug info:

PubChemData

Smile

C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCNCCCl.O.Cl.Cl

DOS

IR

Vibrations