Geometry & MOs

Info

ID:

214803

PubChem CID:

85083670

Reduced:

O13C30H44 (1)

Stoich.:

A13B30C44 (1)

Weight, g/mol:

612.2584

ΔHf, kcal/mol:

-577.56

Dipole, Da:

6.38

IP(EA), eV:

 -9.03(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(dimethylamino)-10,12a-dihydroxy-7-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)OC1CC(C2(C(CC(C(C2C(C3(C(C=C1C)OC(=O)C3(C)O)O)OC(=O)C)C)O)OC(=O)C)C)OC(=O)C

DOS

IR

Vibrations