Geometry & MOs

Info

ID:

179757

PubChem CID:

76527168

Reduced:

O7C30H38 (1)

Stoich.:

A7B30C38 (1)

Weight, g/mol:

482.230453

ΔHf, kcal/mol:

-235.32

Dipole, Da:

3.1

IP(EA), eV:

 -9.17(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] 2-hydroxy-6-methylbenzoate

Drug info:

PubChemData

Smile

CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4OC(=O)C5=CC=CC=C5OC(C)C)C)O)O)CO

DOS

IR

Vibrations