Geometry & MOs

Info

ID:	274287
PubChem CID:	103808307
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	316.0245
ΔH_f, kcal/mol:	17.45
Dipole, Da:	0.78
IP(EA), eV:	-8.92(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN[C@H](C1)C(=O)NCC2=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations