Geometry & MOs

Info

ID:	334056
PubChem CID:	127252608
Reduced:	Cl2N3O3C14H19 (1)
Stoich.:	A2B3C3D14E19 (1)
Weight, g/mol:	276.134816
ΔH_f, kcal/mol:	-130.91
Dipole, Da:	14.01
IP(EA), eV:	-8.46(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(1-hydroxy-3,4,5-trimethylimidazol-3-ium-2-yl)-3-pyridin-4-ylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C([N+](=C(N1O)C(CC(=O)O)C2=CC=[NH+]C=C2)C)C.[Cl-].[Cl-]

DOS

IR

Vibrations