Geometry & MOs

Info

ID:	249546
PubChem CID:	103090379
Reduced:	NSC9H21 (1)
Stoich.:	ABC9D21 (1)
Weight, g/mol:	260.155849
ΔH_f, kcal/mol:	-29.74
Dipole, Da:	3.09
IP(EA), eV:	-8.49(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpiperazin-1-yl)-6-methylsulfanylhexanoic acid

Drug info:

PubChemData

Smile

CNCCCCCCCSC

DOS

IR

Vibrations