Geometry & MOs

Info

ID:

7661

PubChem CID:

73677

Reduced:

O9H14C19 (1)

Stoich.:

A9B14C19 (1)

Weight, g/mol:

386.063782

ΔHf, kcal/mol:

-297.12

Dipole, Da:

10.17

IP(EA), eV:

 -9.65(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13,17-dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3C)O)C(=O)OC4O)C=O)OC

DOS

IR

Vibrations