Geometry & MOs

Info

ID:

164128

PubChem CID:

74382051

Reduced:

FN3O10H36C43 (1)

Stoich.:

AB3C10D36E43 (1)

Weight, g/mol:

523.281299

ΔHf, kcal/mol:

-323.13

Dipole, Da:

13.6

IP(EA), eV:

 -9.02(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[[1-[2-[2-(2-chlorophenyl)ethoxy]ethyl]-4-hydroxypiperidin-4-yl]methylamino]-1-hydroxyethyl]-8-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1C(C2C(C(C1NCC3=CC=C(C=C3)F)O)OC4=CC=CC=C24)C(=O)NCCOC(=O)NC5=CC(=C(C=C5)C6=C7C=CC(=O)C=C7OC8=C6C=CC(=C8)O)C(=O)O

DOS

IR

Vibrations