Geometry & MOs

Info

ID:

164250

PubChem CID:

74382581

Reduced:

ClFN3O10H35C43 (1)

Stoich.:

ABC3D10E35F43 (1)

Weight, g/mol:

461.151762

ΔHf, kcal/mol:

-316.17

Dipole, Da:

12.32

IP(EA), eV:

 -8.98(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-[4-(4-fluorophenoxy)-3-methylpiperidine-1-carbonyl]phenyl]-N',N'-dimethyloxamide

Drug info:

PubChemData

Smile

C1C(C(C(C=C1C(=O)NCCOC(=O)NC2=CC(=C(C=C2)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)C(=O)O)OC6=CC=CC=C6Cl)O)NCC7=CC=C(C=C7)F

DOS

IR

Vibrations