Geometry & MOs

Info

ID:	137585
PubChem CID:	52230482
Reduced:	N2O2C19H31 (1)
Stoich.:	A2B2C19D31 (1)
Weight, g/mol:	338.207981
ΔH_f, kcal/mol:	-59.62
Dipole, Da:	1.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.806880
Charge, e:	1

Chem-info

IUPAC name:

(3,5-dimethyl-1,2-oxazol-4-yl)methyl-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-methylazanium

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1OCC[NH+]2CCN(CC2)C3=CC=CC=C3O

DOS

IR

Vibrations