Geometry & MOs

Info

ID:

292

PubChem CID:

2523

Reduced:

O3C28H42 (1)

Stoich.:

A3B28C42 (1)

Weight, g/mol:

426.313395

ΔHf, kcal/mol:

-132.19

Dipole, Da:

1.72

IP(EA), eV:

 -8.63(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[1-(5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-methyl-6-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)(C)O)O)C

DOS

IR

Vibrations