Geometry & MOs

Info

ID:	11331
PubChem CID:	114100
Reduced:	ON3Cl5C15H22 (1)
Stoich.:	AB3C5D15E22 (1)
Weight, g/mol:	437.017601
ΔH_f, kcal/mol:	-121.48
Dipole, Da:	4.0
IP(EA), eV:	-9.02(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-bis(2-chloroethyl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine;hydrate;dihydrochloride

Drug info:

PubChemData

Smile

C1=CC2=C(C=CN=C2C=C1Cl)NCCN(CCCl)CCCl.O.Cl.Cl

DOS

IR

Vibrations