Geometry & MOs

Info

ID:

1578

PubChem CID:

4720

Reduced:

O2C21H29 (2)

Stoich.:

A2B21C29 (2)

Weight, g/mol:

626.43351

ΔHf, kcal/mol:

-142.95

Dipole, Da:

6.13

IP(EA), eV:

 -8.49(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2,3-dihydroxy-5-(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)phenyl]-5-(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)benzene-1,2-diol

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(C)(C=C)C1=CC(=C(C(=C1)O)O)C2=C(C(=CC(=C2)C(C)(CCC=C(C)CCC=C(C)C)C=C)O)O)C)C

DOS

IR

Vibrations