Geometry & MOs

Info

ID:

93909

PubChem CID:

49997631

Reduced:

O4N5C32H43 (1)

Stoich.:

A4B5C32D43 (1)

Weight, g/mol:

563.347155

ΔHf, kcal/mol:

-169.0

Dipole, Da:

9.55

IP(EA), eV:

 -8.73(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)N4CCCCC4

DOS

IR

Vibrations