Geometry & MOs

Info

ID:

105666

PubChem CID:

50135648

Reduced:

N3O3C20H24 (2)

Stoich.:

A3B3C20D24 (2)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-208.82

Dipole, Da:

6.3

IP(EA), eV:

 -8.29(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-methyl-4-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)C(=O)N6CCCC6)C)OC

DOS

IR

Vibrations