Geometry & MOs

Info

ID:

163196

PubChem CID:

57654738

Reduced:

ClO3C21H22 (2)

Stoich.:

AB3C21D22 (2)

Weight, g/mol:

686.371973

ΔHf, kcal/mol:

-220.72

Dipole, Da:

3.6

IP(EA), eV:

 -8.68(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-pentylcyclohexyl) 1-amino-4-[4-(4-butoxy-3,5-dimethylphenyl)anilino]-9,10-dioxoanthracene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)COC2=CC=C(C=C2)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=CC(=C5O)C6=CC(=C(C(=C6)Cl)OCCCC)Cl)O

DOS

IR

Vibrations