Geometry & MOs

Info

ID:

214479

PubChem CID:

85083107

Reduced:

N3O7C29H37 (1)

Stoich.:

A3B7C29D37 (1)

Weight, g/mol:

539.263151

ΔHf, kcal/mol:

-228.26

Dipole, Da:

3.55

IP(EA), eV:

 -9.47(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[(cyclohexylmethylamino)methyl]-4-(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCC(CC(=O)NOCC1=CC=CC=C1)C(=O)N2C(CCCN2C(=O)OCC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations