Geometry & MOs

Info

ID:	282511
PubChem CID:	103928973
Reduced:	BrON2F3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	290.199428
ΔH_f, kcal/mol:	-200.58
Dipole, Da:	2.27
IP(EA), eV:	-9.5(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3,3-dimethyl-1-(4-phenoxypiperidin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)NC1=C(C=C(C=C1)Br)C(F)(F)F)N

DOS

IR

Vibrations