Geometry & MOs

Info

ID:

96834

PubChem CID:

50024754

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

530.269319

ΔHf, kcal/mol:

-218.73

Dipole, Da:

6.38

IP(EA), eV:

 -8.89(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-(1-phenylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N(CC)CC)C

DOS

IR

Vibrations