Geometry & MOs

Info

ID:

296800

PubChem CID:

117593577

Reduced:

O4C13H16 (4)

Stoich.:

A4B13C16 (4)

Weight, g/mol:

706.350569

ΔHf, kcal/mol:

-674.72

Dipole, Da:

8.57

IP(EA), eV:

 -9.43(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picene-2-carboxylic acid;5,7-dihydroxy-2-phenylchromen-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3COC(=O)C=CC(=O)O)O)C(=O)O)C)C=O)O.CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)C(=O)O)C

DOS

IR

Vibrations