Geometry & MOs

Info

ID:	137430
PubChem CID:	52207482
Reduced:	N2O3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	295.135448
ΔH_f, kcal/mol:	-103.67
Dipole, Da:	6.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.133907
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCCC[C@@H]2C(=O)N

DOS

IR

Vibrations