Geometry & MOs

Info

ID:	262055
PubChem CID:	103267575
Reduced:	ClFNO2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	231.183444
ΔH_f, kcal/mol:	-111.67
Dipole, Da:	3.71
IP(EA), eV:	-8.93(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-methylpropoxy)ethylamino]hexanoic acid

Drug info:

PubChemData

Smile

CC/C(=C/CNC1=C(C=CC=C1Cl)F)/C(=O)O

DOS

IR

Vibrations