Geometry & MOs

Info

ID:

335398

PubChem CID:

127254260

Reduced:

ClNO5C31H34 (1)

Stoich.:

ABC5D31E34 (1)

Weight, g/mol:

523.212551

ΔHf, kcal/mol:

-196.29

Dipole, Da:

5.41

IP(EA), eV:

 -9.16(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[1-[(1R)-1-(4-chlorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-oxopropan-2-yl]oxy-3,4,7-trimethylchromen-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OC(C)C(=O)N4CCC5(CCCCC5[C@@H]4C6=CC=C(C=C6)Cl)O

DOS

IR

Vibrations