Geometry & MOs

Info

ID:

335391

PubChem CID:

127254253

Reduced:

ClNO5C32H36 (1)

Stoich.:

ABC5D32E36 (1)

Weight, g/mol:

509.196901

ΔHf, kcal/mol:

-203.76

Dipole, Da:

11.1

IP(EA), eV:

 -8.87(-0.75)

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]-3,4,8-trimethylchromen-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OC(C)C(=O)N4CCC5(CCCCC5[C@@H]4C6=CC=C(C=C6)Cl)O

DOS

IR

Vibrations