Geometry & MOs

Info

ID:

437111

PubChem CID:

135214897

Reduced:

ClFNOC35H35 (1)

Stoich.:

ABCDE35F35 (1)

Weight, g/mol:

601.522266

ΔHf, kcal/mol:

-24.99

Dipole, Da:

5.97

IP(EA), eV:

 -8.84(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-ethyl-4-[4-[6-(4-pentylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]cyclohexyl]phenyl]propyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4=C(C=C(C=C4)CCN(C)C(=O)C=C)F)Cl

DOS

IR

Vibrations