Geometry & MOs

Info

ID:	277914
PubChem CID:	103831871
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	293.190341
ΔH_f, kcal/mol:	-32.27
Dipole, Da:	5.82
IP(EA), eV:	-9.44(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations