Geometry & MOs

Info

ID:

10360

PubChem CID:

101088

Reduced:

ClNO6C29H50 (1)

Stoich.:

ABC6D29E50 (1)

Weight, g/mol:

543.332666

ΔHf, kcal/mol:

-375.82

Dipole, Da:

4.44

IP(EA), eV:

 -8.91(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-[2-[2-(dimethylamino)ethoxy]-2-oxoethylidene]-9-hydroxy-1,1,4a,8-tetramethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthren-2-yl] 3-hydroxy-3-methylbutanoate;hydrochloride

Drug info:

PubChemData

Smile

CC1C2C(CCC1=CC(=O)OCCN(C)C)C3(CCC(C(C3CC2O)(C)C)OC(=O)CC(C)(C)O)C.Cl

DOS

IR

Vibrations