Geometry & MOs

Info

ID:

12150

PubChem CID:

131461

Reduced:

O2C14H23 (2)

Stoich.:

A2B14C23 (2)

Weight, g/mol:

446.33961

ΔHf, kcal/mol:

-222.34

Dipole, Da:

2.99

IP(EA), eV:

 -8.98(0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S)-5-[2-[(3aS,7aS)-1-[(1S)-1-(5-hydroxy-5-methylhexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Smile

C[C@@H](C1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C[C@@H](C3=C)O)O)C)OCCCCC(C)(C)O

DOS

IR

Vibrations