Geometry & MOs

Info

ID:

170303

PubChem CID:

75215276

Reduced:

O19C41H52 (1)

Stoich.:

A19B41C52 (1)

Weight, g/mol:

374.172939

ΔHf, kcal/mol:

-782.48

Dipole, Da:

1.91

IP(EA), eV:

 -9.44(0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,4,16-triol

Drug info:

PubChemData

Smile

CCC12CC3C(C(C(C4(C3(O1)C(O2)C5(C(C6(CC5(C4(C6C(C(=O)OC)OC(=O)C)C)O)C)OC(=O)C)OC(=O)C)O)OC(=O)C)OC(=O)C)(C)C(C7=COC=C7)OC(=O)C

DOS

IR

Vibrations