Geometry & MOs

Info

ID:	381576
PubChem CID:	134972356
Reduced:	N3O4H15C22 (1)
Stoich.:	A3B4C15D22 (1)
Weight, g/mol:	398.163043
ΔH_f, kcal/mol:	25.77
Dipole, Da:	8.93
IP(EA), eV:	-8.77(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylanilino)-3-(4-methoxyanilino)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations