Geometry & MOs

Info

ID:	138623
PubChem CID:	52395561
Reduced:	FON3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	341.197751
ΔH_f, kcal/mol:	-43.44
Dipole, Da:	3.12
IP(EA), eV:	-8.32(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R)-1-(2-amino-2-oxoethyl)-N-methyl-N-(quinolin-8-ylmethyl)piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CNC1=C(C=CC=N1)CN(C[C@H]2CCCO2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations