Geometry & MOs

Info

ID:	177120
PubChem CID:	76137051
Reduced:	ON2H8C10 (1)
Stoich.:	AB2C8D10 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	59.83
Dipole, Da:	7.82
IP(EA), eV:	-9.42(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[4-(1-oxidopyridin-1-ium-2-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C)C2=CN=NC(=O)C2=C1

DOS

IR

Vibrations