Geometry & MOs

Info

ID:

335392

PubChem CID:

127254254

Reduced:

ClNO5C29H32 (1)

Stoich.:

ABC5D29E32 (1)

Weight, g/mol:

537.228201

ΔHf, kcal/mol:

-193.06

Dipole, Da:

9.41

IP(EA), eV:

 -8.78(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC4(CCCCC4[C@@H]3C5=CC=C(C=C5)Cl)O)C

DOS

IR

Vibrations