Geometry & MOs

Info

ID:

335404

PubChem CID:

127254266

Reduced:

ClNO5C30H32 (1)

Stoich.:

ABC5D30E32 (1)

Weight, g/mol:

521.196901

ΔHf, kcal/mol:

-179.95

Dipole, Da:

12.34

IP(EA), eV:

 -8.7(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[2-[(1R)-1-(4-chlorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethoxy]-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)N4CCC5(CCCCC5[C@@H]4C6=CC=C(C=C6)Cl)O

DOS

IR

Vibrations