Geometry & MOs

Info

ID:

214307

PubChem CID:

84975031

Reduced:

Cl2O2N3C16H22 (1)

Stoich.:

A2B2C3D16E22 (1)

Weight, g/mol:

290.186852

ΔHf, kcal/mol:

-81.95

Dipole, Da:

1.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755131

Charge, e:

 1

Chem-info

IUPAC name:

1-[2-(2-ethylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations