Geometry & MOs

Info

ID:	214113
PubChem CID:	81067364
Reduced:	ON2C13H28 (1)
Stoich.:	AB2C13D28 (1)
Weight, g/mol:	321.135842
ΔH_f, kcal/mol:	-50.64
Dipole, Da:	1.65
IP(EA), eV:	-8.6(2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-methylsulfonylpiperazine-1-carbonyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCOCCN(C)C(C)C(C)CNC1CC1

DOS

IR

Vibrations