Geometry & MOs

Info

ID:	66247
PubChem CID:	46500625
Reduced:	ClO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	381.124405
ΔH_f, kcal/mol:	4.63
Dipole, Da:	4.06
IP(EA), eV:	-8.5(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations