Geometry & MOs

Info

ID:	282474
PubChem CID:	103928431
Reduced:	OF2N2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	226.204513
ΔH_f, kcal/mol:	-130.83
Dipole, Da:	2.62
IP(EA), eV:	-9.28(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-1-(2-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations