Geometry & MOs

Info

ID:

47405

PubChem CID:

10532425

Reduced:

Cl2N2C17H29 (2)

Stoich.:

A2B2C17D29 (2)

Weight, g/mol:

664.273577

ΔHf, kcal/mol:

58.92

Dipole, Da:

53.17

IP(EA), eV:

 -5.29(-2.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[[1-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]methyl]-4-phenylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C[N+]2(CC[NH2+]CC2)CCCCCCCCCC[N+]3(CC[NH2+]CC3)CC4=CC=CC=C4C.[Cl-].[Cl-].[Cl-].[Cl-]

DOS

IR

Vibrations