Geometry & MOs

Info

ID:	277760
PubChem CID:	103830857
Reduced:	FON2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	226.204513
ΔH_f, kcal/mol:	-85.83
Dipole, Da:	2.34
IP(EA), eV:	-8.88(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-(3,5-dimethylpiperidin-1-yl)hexan-1-one

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CC=CC=C1F)N

DOS

IR

Vibrations