Geometry & MOs

Info

ID:	81707
PubChem CID:	49855034
Reduced:	Cl2N3O4C46H69 (1)
Stoich.:	A2B3C4D46E69 (1)
Weight, g/mol:	440.153452
ΔH_f, kcal/mol:	-223.99
Dipole, Da:	6.69
IP(EA), eV:	-8.71(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine;dihydrochloride

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCC(=O)OCN1C(=O)C=CC2=C1C=C(C=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations