Geometry & MOs

Info

ID:

120654

PubChem CID:

50739123

Reduced:

N3O3C19H23 (2)

Stoich.:

A3B3C19D23 (2)

Weight, g/mol:

533.300205

ΔHf, kcal/mol:

-206.14

Dipole, Da:

8.91

IP(EA), eV:

 -7.98(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-anilino-1-oxopropan-2-yl)-1-[2-[2-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC=C5C(=O)N(C)C)OC

DOS

IR

Vibrations