Geometry & MOs

Info

ID:	261917
PubChem CID:	103258899
Reduced:	N2O3C11H16 (1)
Stoich.:	A2B3C11D16 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-100.92
Dipole, Da:	3.04
IP(EA), eV:	-10.24(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(1S)-1-pyridin-4-ylethyl]amino]ethoxy]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=NC=C1)NC(COC)C(=O)O

DOS

IR

Vibrations