Geometry & MOs

Info

ID:

441761

PubChem CID:

135243586

Reduced:

N6H8F14C45 (1)

Stoich.:

A6B8C14D45 (1)

Weight, g/mol:

388.26136

ΔHf, kcal/mol:

-247.68

Dipole, Da:

2.26

IP(EA), eV:

 -9.86(-2.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(2-methylpentan-2-yloxy)cyclohexyl] 2-(2,2-dimethylpropanoyl)benzoate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C3=C(C4=C(C(=C3F)F)C(=C(C(=C4F)F)F)F)F)C(=C(C#N)C#N)C5=C2N=C6C(=N5)C7=C(C68C(C8C#N)C#N)C=C(C=C7)C9=C(C1=C(C(=C9F)F)C(=C(C(=C1F)F)F)F)F

DOS

IR

Vibrations