Geometry & MOs

Info

ID:	261711
PubChem CID:	103246862
Reduced:	NO4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	295.178358
ΔH_f, kcal/mol:	-169.12
Dipole, Da:	3.75
IP(EA), eV:	-9.27(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(3-methylbutoxy)ethylamino]ethoxy]benzoic acid

Drug info:

PubChemData

Smile

CC(CCC1=CC=CO1)NCC(CC(=O)O)O

DOS

IR

Vibrations