Geometry & MOs

Info

ID:

185267

PubChem CID:

77278843

Reduced:

FSN6O7C35H41 (1)

Stoich.:

ABC6D7E35F41 (1)

Weight, g/mol:

437.227869

ΔHf, kcal/mol:

-251.5

Dipole, Da:

13.29

IP(EA), eV:

 -8.38(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-fluoro-4,5-dimethylphenyl)ethyl]-2-(4-fluoro-4-methylpiperidin-1-yl)quinoline-6-carboxamide

Drug info:

PubChemData

Smile

CCC1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)C3CC(CN3C(=O)C(C(C)C)NC4=CC=CC(=C4)C#N)C5C6=C(CN5C(=O)O)C(=CC=C6)F

DOS

IR

Vibrations