Geometry & MOs

Info

ID:	314795
PubChem CID:	126623221
Reduced:	BrClON3C13H17 (1)
Stoich.:	ABCD3E13F17 (1)
Weight, g/mol:	231.052958
ΔH_f, kcal/mol:	-50.96
Dipole, Da:	4.25
IP(EA), eV:	-9.06(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-fluoro-4-[(iminoazaniumylideneamino)methyl]pyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(C=C1)Br)NC(=O)[C@@H]2[C@H]3CCC(C3)N2.Cl

DOS

IR

Vibrations