Geometry & MOs

Info

ID:	372353
PubChem CID:	131296539
Reduced:	BrON2F3H4C8 (1)
Stoich.:	ABC2D3E4F8 (1)
Weight, g/mol:	279.94591
ΔH_f, kcal/mol:	-141.79
Dipole, Da:	7.21
IP(EA), eV:	-9.45(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-bromo-6-(trifluoromethoxy)benzonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C#N)OC(F)(F)F)Br)N

DOS

IR

Vibrations