Geometry & MOs

Info

ID:

214340

PubChem CID:

84975217

Reduced:

N3O3C15H22 (1)

Stoich.:

A3B3C15D22 (1)

Weight, g/mol:

310.13223

ΔHf, kcal/mol:

-93.42

Dipole, Da:

2.68

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759295

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)N

DOS

IR

Vibrations