Geometry & MOs

Info

ID:	137844
PubChem CID:	52270895
Reduced:	N3O3C17H26 (1)
Stoich.:	A3B3C17D26 (1)
Weight, g/mol:	340.166117
ΔH_f, kcal/mol:	-122.59
Dipole, Da:	3.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.966560
Charge, e:	1

Chem-info

IUPAC name:

(2-anilino-2-oxoethyl) (3R)-1-pyridin-1-ium-2-ylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)COC(=O)[C@@H]1CCCN(C1)C2=CC=CC=[NH+]2

DOS

IR

Vibrations