Geometry & MOs

Info

ID:	261903
PubChem CID:	103258138
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-61.37
Dipole, Da:	7.31
IP(EA), eV:	-9.58(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(1S)-1-pyridin-3-ylethyl]amino]ethoxy]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H](C)NCC(=C)C(=O)O

DOS

IR

Vibrations