Geometry & MOs

Info

ID:	372765
PubChem CID:	131304274
Reduced:	BrOF3H3N3C7 (1)
Stoich.:	ABC3D3E3F7 (1)
Weight, g/mol:	280.94116
ΔH_f, kcal/mol:	-131.93
Dipole, Da:	5.88
IP(EA), eV:	-9.6(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C(=C(N=C1N)C#N)Br)OC(F)(F)F

DOS

IR

Vibrations