Geometry & MOs

Info

ID:	373827
PubChem CID:	131320420
Reduced:	BrOF3H3N3C7 (1)
Stoich.:	ABC3D3E3F7 (1)
Weight, g/mol:	280.94116
ΔH_f, kcal/mol:	-126.27
Dipole, Da:	7.02
IP(EA), eV:	-9.8(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations