Geometry & MOs

Info

ID:	186902
PubChem CID:	77503610
Reduced:	FNCl2O2C17H26 (1)
Stoich.:	ABC2D2E17F26 (1)
Weight, g/mol:	231.027254
ΔH_f, kcal/mol:	-186.92
Dipole, Da:	4.6
IP(EA), eV:	-8.78(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;1-(phosphonomethyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

COCCCCC(C1CCCNC1)(C2=C(C(=CC=C2)Cl)F)O.Cl

DOS

IR

Vibrations