Geometry & MOs

Info

ID:	127089
PubChem CID:	50990490
Reduced:	ClN2O2H5C8 (1)
Stoich.:	AB2C2D5E8 (1)
Weight, g/mol:	218.93312
ΔH_f, kcal/mol:	-36.63
Dipole, Da:	7.78
IP(EA), eV:	-9.55(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-fluoropyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CNC2=NC(=C(C=C21)Cl)C(=O)O

DOS

IR

Vibrations