Geometry & MOs

Info

ID:

335403

PubChem CID:

127254265

Reduced:

NO5C35H37 (1)

Stoich.:

AB5C35D37 (1)

Weight, g/mol:

521.196901

ΔHf, kcal/mol:

-161.25

Dipole, Da:

9.78

IP(EA), eV:

 -8.96(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC(=O)N4CCC5(CCCCC5[C@@H]4C6=CC=CC=C6)O

DOS

IR

Vibrations