Geometry & MOs

Info

ID:	372354
PubChem CID:	131296541
Reduced:	BrON2F3H4C8 (1)
Stoich.:	ABC2D3E4F8 (1)
Weight, g/mol:	279.94591
ΔH_f, kcal/mol:	-147.73
Dipole, Da:	8.32
IP(EA), eV:	-9.5(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-bromo-3-(trifluoromethoxy)benzonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1OC(F)(F)F)C#N)Br)N

DOS

IR

Vibrations