Geometry & MOs

Info

ID:	7454
PubChem CID:	72741
Reduced:	NO2H11C14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	450.157957
ΔH_f, kcal/mol:	-69.68
Dipole, Da:	3.2
IP(EA), eV:	-7.86(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dihydroxy-4,8-bis(4-methylanilino)anthracene-9,10-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)NC5=CC=C(C=C5)C

DOS

IR

Vibrations