Geometry & MOs

Info

ID:	150125
PubChem CID:	53789811
Reduced:	O5C9H16 (1)
Stoich.:	A5B9C16 (1)
Weight, g/mol:	230.199428
ΔH_f, kcal/mol:	-245.66
Dipole, Da:	5.8
IP(EA), eV:	-11.07(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(octylamino)ethylamino]acetic acid

Drug info:

PubChemData

Smile

CCCCCOC(=O)C(CC(=O)O)O

DOS

IR

Vibrations