Geometry & MOs

Info

ID:

186053

PubChem CID:

77384495

Reduced:

N6O7C37H40 (1)

Stoich.:

A6B7C37D40 (1)

Weight, g/mol:

463.296555

ΔHf, kcal/mol:

-171.71

Dipole, Da:

10.58

IP(EA), eV:

 -9.53(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-amino-3-cyclohexyl-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-propan-2-yloxymethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)ON1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)NC(CC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations