Geometry & MOs

Info

ID:	277915
PubChem CID:	103831878
Reduced:	FON3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	309.16079
ΔH_f, kcal/mol:	-79.42
Dipole, Da:	3.66
IP(EA), eV:	-8.42(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]hexan-1-one

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)F)N

DOS

IR

Vibrations