Geometry & MOs

Info

ID:	425021
PubChem CID:	135124885
Reduced:	FN2O5H31C33 (1)
Stoich.:	AB2C5D31E33 (1)
Weight, g/mol:	208.9243
ΔH_f, kcal/mol:	-133.06
Dipole, Da:	1.52
IP(EA), eV:	-8.84(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-1-hydroxy-2H-pyridine

Drug info:

PubChemData

Smile

CC#CC(CC(=O)OC)C1=CC=C(C=C1)O[C@@H]2CCC3=C(C=CC(=C23)F)C4=CC(=C(N=C4)OC5CCOCC5)C#N

DOS

IR

Vibrations