Geometry & MOs

Info

ID:	381671
PubChem CID:	134972469
Reduced:	O3C31H42 (1)
Stoich.:	A3B31C42 (1)
Weight, g/mol:	354.136828
ΔH_f, kcal/mol:	-108.13
Dipole, Da:	5.6
IP(EA), eV:	-8.83(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilino-3-(N-methylanilino)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC1=CC(=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC)O

DOS

IR

Vibrations