Geometry & MOs

Info

ID:

44407

PubChem CID:

10503402

Reduced:

NO7C24H29 (1)

Stoich.:

AB7C24D29 (1)

Weight, g/mol:

443.194402

ΔHf, kcal/mol:

-212.51

Dipole, Da:

3.86

IP(EA), eV:

 -8.08(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,4S,5S,6R)-2-[[(6aR)-1-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C2=CC3=C(C=C2O[C@H]1N4CCOCC4)OCO3)C5=C(C(=C(C=C5)OC)OC)OC

DOS

IR

Vibrations