Geometry & MOs

Info

ID:	334334
PubChem CID:	127252886
Reduced:	ClN3O4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	342.145381
ΔH_f, kcal/mol:	-114.12
Dipole, Da:	6.77
IP(EA), eV:	-8.57(-1.02)
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-(2-oxo-1H-quinolin-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C([N+](=C(N1O)C(CC(=O)O)C2=CC3=CC=CC=C3NC2=O)C)C.[Cl-]

DOS

IR

Vibrations