Geometry & MOs

Info

ID:	261916
PubChem CID:	103258880
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	-71.2
Dipole, Da:	5.77
IP(EA), eV:	-8.89(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C)N/C=C/C(=O)OC

DOS

IR

Vibrations