Geometry & MOs

Info

ID:

1242

PubChem CID:

4035

Reduced:

ClN2O8H21C22 (1)

Stoich.:

AB2C8D21E22 (1)

Weight, g/mol:

476.098643

ΔHf, kcal/mol:

-279.2

Dipole, Da:

4.26

IP(EA), eV:

 -9.15(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylidene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione

Drug info:

PubChemData

Smile

CN(C)C1C2C(C3C(=C)C4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)O)Cl)O

DOS

IR

Vibrations