Geometry & MOs

Info

ID:	373579
PubChem CID:	131317488
Reduced:	BrON2F4H5C7 (1)
Stoich.:	ABC2D4E5F7 (1)
Weight, g/mol:	287.95214
ΔH_f, kcal/mol:	-227.56
Dipole, Da:	3.33
IP(EA), eV:	-9.07(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-(fluoromethyl)-5-(trifluoromethoxy)pyridin-3-amine

Drug info:

PubChemData

Smile

C1=C(C(=NC(=C1N)OC(F)(F)F)Br)CF

DOS

IR

Vibrations