Geometry & MOs

Info

ID:	137843
PubChem CID:	52270819
Reduced:	N2O2C22H29 (1)
Stoich.:	A2B2C22D29 (1)
Weight, g/mol:	320.197417
ΔH_f, kcal/mol:	-16.56
Dipole, Da:	4.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.127187
Charge, e:	1

Chem-info

IUPAC name:

[2-(tert-butylamino)-2-oxoethyl] (3R)-1-pyridin-1-ium-2-ylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1CC1)[NH+](CCC(=O)NC2=CC=CC=C2OC)CC3=CC=CC=C3

DOS

IR

Vibrations