Geometry & MOs

Info

ID:

12168

PubChem CID:

131799

Reduced:

O3C30H50 (1)

Stoich.:

A3B30C50 (1)

Weight, g/mol:

458.375995

ΔHf, kcal/mol:

-190.97

Dipole, Da:

1.76

IP(EA), eV:

 -8.57(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations