Geometry & MOs

Info

ID:	277750
PubChem CID:	103830776
Reduced:	OSN2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	294.174356
ΔH_f, kcal/mol:	-14.5
Dipole, Da:	4.34
IP(EA), eV:	-9.13(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C)C(C)N[C@@H](CO)C2=CC=CC=C2

DOS

IR

Vibrations