Geometry & MOs

Info

ID:	341324
PubChem CID:	127264017
Reduced:	BrON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	188.999284
ΔH_f, kcal/mol:	37.27
Dipole, Da:	1.33
IP(EA), eV:	-9.19(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-fluoro-6-methylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@](C1CC1)(C2=CC=C(C=C2)Br)/C(=N\O)/N

DOS

IR

Vibrations