Geometry & MOs

Info

ID:	277924
PubChem CID:	103831927
Reduced:	ON5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	289.215413
ΔH_f, kcal/mol:	0.76
Dipole, Da:	5.6
IP(EA), eV:	-9.1(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC(C)C1=NN=C2N1C=CC=C2)N

DOS

IR

Vibrations