Geometry & MOs

Info

ID:	232229
PubChem CID:	87575756
Reduced:	NC4O4H5 (2)
Stoich.:	AB4C4D5 (2)
Weight, g/mol:	471.117924
ΔH_f, kcal/mol:	-280.03
Dipole, Da:	3.76
IP(EA), eV:	-10.54(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyl-1-(4-nitrophenyl)piperidin-1-ium-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

C(C(C(=O)O)[N+](=[N-])C(CC(=O)O)C(=O)O)C(=O)O

DOS

IR

Vibrations