Geometry & MOs

Info

ID:	334333
PubChem CID:	127252885
Reduced:	ClN2O6C19H21 (1)
Stoich.:	AB2C6D19E21 (1)
Weight, g/mol:	377.114234
ΔH_f, kcal/mol:	-217.99
Dipole, Da:	3.31
IP(EA), eV:	-8.87(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-hydroxy-3,4,5-trimethylimidazol-3-ium-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoic acid;chloride

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)N[C@@H](C)C(=O)N

DOS

IR

Vibrations