Geometry & MOs

Info

ID:	374655
PubChem CID:	131342353
Reduced:	SBr2F2H6C10 (1)
Stoich.:	AB2C2D6E10 (1)
Weight, g/mol:	224.057276
ΔH_f, kcal/mol:	-62.58
Dipole, Da:	2.23
IP(EA), eV:	-9.05(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-fluoro-2-methyl-3-(trifluoromethoxy)pyridin-4-yl]methanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Br)SC(=C2CBr)C(F)F

DOS

IR

Vibrations