Geometry & MOs

Info

ID:	335607
PubChem CID:	127254469
Reduced:	Cl2N3O5C15H17 (1)
Stoich.:	A2B3C5D15E17 (1)
Weight, g/mol:	354.085673
ΔH_f, kcal/mol:	-88.19
Dipole, Da:	13.11
IP(EA), eV:	-9.07(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(2-chloro-5-nitrophenyl)-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=C(C=CC(=C2)[N+](=O)[O-])Cl)C)C.[Cl-]

DOS

IR

Vibrations