Geometry & MOs

Info

ID:

190895

PubChem CID:

78072318

Reduced:

ClN2O2F3H24C25 (1)

Stoich.:

AB2C2D3E24F25 (1)

Weight, g/mol:

440.171162

ΔHf, kcal/mol:

-161.76

Dipole, Da:

6.28

IP(EA), eV:

 -8.66(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

25-methyl-8-(trifluoromethyl)-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol

Drug info:

PubChemData

Smile

CN1CCC23CC4=C(CC2(C1CC5=C3C=C(C=C5)O)O)C=C6C=C(C=CC6=N4)C(F)(F)F.Cl

DOS

IR

Vibrations