Geometry & MOs

Info

ID:

214359

PubChem CID:

84975272

Reduced:

O2N3C16H24 (1)

Stoich.:

A2B3C16D24 (1)

Weight, g/mol:

290.186852

ΔHf, kcal/mol:

-68.18

Dipole, Da:

4.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756744

Charge, e:

 1

Chem-info

IUPAC name:

1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)N

DOS

IR

Vibrations