Geometry & MOs

Info

ID:	411362
PubChem CID:	135084185
Reduced:	BrON5C10H10 (1)
Stoich.:	ABC5D10E10 (1)
Weight, g/mol:	175.004512
ΔH_f, kcal/mol:	132.02
Dipole, Da:	6.23
IP(EA), eV:	-9.07(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,4,5-tetrafluoro-3-isocyanobenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2/C(=C(/CBr)\N=O)/N=NN2

DOS

IR

Vibrations