Geometry & MOs

Info

ID:

96989

PubChem CID:

50026782

Reduced:

FO5N6C44H55 (1)

Stoich.:

AB5C6D44E55 (1)

Weight, g/mol:

530.269319

ΔHf, kcal/mol:

-251.7

Dipole, Da:

4.27

IP(EA), eV:

 -8.6(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=CC(=C2NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=CC(=C6)F)C)C)C

DOS

IR

Vibrations