Geometry & MOs

Info

ID:

114741

PubChem CID:

50495155

Reduced:

FO3N4C31H35 (1)

Stoich.:

AB3C4D31E35 (1)

Weight, g/mol:

534.244247

ΔHf, kcal/mol:

-141.32

Dipole, Da:

3.82

IP(EA), eV:

 -8.55(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-fluoro-2-methylphenyl)-1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)C)C)F

DOS

IR

Vibrations