Geometry & MOs

Info

ID:

127783

PubChem CID:

51014993

Reduced:

N3O6C11H17 (1)

Stoich.:

A3B6C11D17 (1)

Weight, g/mol:

470.168916

ΔHf, kcal/mol:

-12.18

Dipole, Da:

4.42

IP(EA), eV:

 -9.66(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z,4S,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-9-ethenyl-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione

Drug info:

PubChemData

Smile

COC1=C[C@@]2(C[C@@](C1)(CN(C2)CCO)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations