Geometry & MOs

Info

ID:	335454
PubChem CID:	127254316
Reduced:	ClN2O4C15H19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	291.134482
ΔH_f, kcal/mol:	-133.36
Dipole, Da:	13.04
IP(EA), eV:	-8.11(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(3-hydroxyphenyl)-3-(1-hydroxy-3,4,5-trimethylimidazol-3-ium-2-yl)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations