Geometry & MOs

Info

ID:

173366

PubChem CID:

75628710

Reduced:

NO4C32H51 (1)

Stoich.:

AB4C32D51 (1)

Weight, g/mol:

430.344695

ΔHf, kcal/mol:

-207.0

Dipole, Da:

3.86

IP(EA), eV:

 -9.6(0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[1-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]propan-2-ylidene]-4-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CCOC(=O)C12CCC(C1C3CCC4C5(CCC(=NO)C(C5CCC4(C3(CC2)C)C)(C)CO)C)C(=C)C

DOS

IR

Vibrations