Geometry & MOs

Info

ID:

335399

PubChem CID:

127254261

Reduced:

ClNO5C30H34 (1)

Stoich.:

ABC5D30E34 (1)

Weight, g/mol:

521.196901

ΔHf, kcal/mol:

-204.2

Dipole, Da:

9.01

IP(EA), eV:

 -8.99(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[(1R)-1-(4-chlorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OC(C)C(=O)N3CCC4(CCCCC4[C@@H]3C5=CC=C(C=C5)Cl)O

DOS

IR

Vibrations