Geometry & MOs

Info

ID:

296833

PubChem CID:

117595475

Reduced:

O15C78H122 (1)

Stoich.:

A15B78C122 (1)

Weight, g/mol:

534.298139

ΔHf, kcal/mol:

-692.05

Dipole, Da:

7.18

IP(EA), eV:

 -8.51(0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-cyclopent-2-en-1-yltridecanoic acid;5,7-dihydroxy-2-phenylchromen-4-one

Drug info:

PubChemData

Smile

CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C.CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C

DOS

IR

Vibrations