Geometry & MOs

Info

ID:

146389

PubChem CID:

53679879

Reduced:

O2C13H15 (2)

Stoich.:

A2B13C15 (2)

Weight, g/mol:

319.105587

ΔHf, kcal/mol:

-165.86

Dipole, Da:

2.33

IP(EA), eV:

 -8.88(0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[ethoxy(hydroxy)methylidene]-7-methoxy-2-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10,12-dione

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]4[C@H]2OC(O4)(C)C5=CC=CC=C5)CCC6=C3C(=CC(=C6)O)O

DOS

IR

Vibrations