Geometry & MOs

Info

ID:

214360

PubChem CID:

84975277

Reduced:

O2N3C16H24 (1)

Stoich.:

A2B3C16D24 (1)

Weight, g/mol:

315.119461

ΔHf, kcal/mol:

-72.29

Dipole, Da:

2.41

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757198

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C[NH+]2CCCC(C2)C(=O)N

DOS

IR

Vibrations