Geometry & MOs

Info

ID:	16057
PubChem CID:	458835
Reduced:	NO2C19H21 (2)
Stoich.:	AB2C19D21 (2)
Weight, g/mol:	590.314458
ΔH_f, kcal/mol:	-101.92
Dipole, Da:	3.79
IP(EA), eV:	-7.83(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dihydroxy-4,8-bis(4-methyl-N-pentylanilino)anthracene-9,10-dione

Drug info:

PubChemData

Smile

CCCCCN(C1=CC=C(C=C1)C)C2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)N(CCCCC)C5=CC=C(C=C5)C

DOS

IR

Vibrations