Geometry & MOs

Info

ID:	66244
PubChem CID:	46500619
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	3.73
Dipole, Da:	2.08
IP(EA), eV:	-8.12(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCN(CC4)C

DOS

IR

Vibrations