Geometry & MOs

Info

ID:	58372
PubChem CID:	24698067
Reduced:	BrFN2O2C13H14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	255.056529
ΔH_f, kcal/mol:	-115.44
Dipole, Da:	3.92
IP(EA), eV:	-9.59(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)C(=O)C2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations