Geometry & MOs

Info

ID:

296854

PubChem CID:

117597050

Reduced:

NCl4O4C17H25 (1)

Stoich.:

AB4C4D17E25 (1)

Weight, g/mol:

831.54716

ΔHf, kcal/mol:

-205.97

Dipole, Da:

4.37

IP(EA), eV:

 -9.29(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane;4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol;sulfuric acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)O)OC.C(CCl)N(CCCl)CCCl.Cl

DOS

IR

Vibrations