Geometry & MOs

Info

ID:

94406

PubChem CID:

50000812

Reduced:

FN6O6C43H53 (1)

Stoich.:

AB6C6D43E53 (1)

Weight, g/mol:

498.239769

ΔHf, kcal/mol:

-274.15

Dipole, Da:

8.99

IP(EA), eV:

 -8.64(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-(4-chloro-2-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)OC)NC(=O)C6=CC=CC=C6F

DOS

IR

Vibrations