Geometry & MOs

Info

ID:	277840
PubChem CID:	103831188
Reduced:	F2N2O3C14H20 (1)
Stoich.:	A2B2C3D14E20 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-224.87
Dipole, Da:	3.71
IP(EA), eV:	-8.6(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-(4-phenylpiperidin-1-yl)hexan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations