Geometry & MOs

Info

ID:	225556
PubChem CID:	85856088
Reduced:	NF3H3C8 (2)
Stoich.:	AB3C3D8 (2)
Weight, g/mol:	292.96517
ΔH_f, kcal/mol:	-206.05
Dipole, Da:	2.51
IP(EA), eV:	-10.64(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(2,5-difluorophenyl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CC(=C(C=C2)C#N)C(F)(F)F)C(F)(F)F)C#N

DOS

IR

Vibrations