Geometry & MOs

Info

ID:	66246
PubChem CID:	46500624
Reduced:	ClN2O2H17C20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	381.124405
ΔH_f, kcal/mol:	-8.75
Dipole, Da:	5.49
IP(EA), eV:	-8.23(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations