Geometry & MOs

Info

ID:	374342
PubChem CID:	131327097
Reduced:	IO2F3H6C9 (1)
Stoich.:	AB2C3D6E9 (1)
Weight, g/mol:	273.01129
ΔH_f, kcal/mol:	-202.81
Dipole, Da:	3.7
IP(EA), eV:	-10.34(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-aminopyrrolidin-1-yl)-5-bromo-1H-pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1CC(=O)O)I)F)C(F)F

DOS

IR

Vibrations