Geometry & MOs

Info

ID:	427617
PubChem CID:	135160683
Reduced:	N2H17C25 (2)
Stoich.:	A2B17C25 (2)
Weight, g/mol:	360.92791
ΔH_f, kcal/mol:	288.81
Dipole, Da:	6.56
IP(EA), eV:	-8.64(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-(2,3,5,6-tetrafluoro-4-phosphanylphenyl)benzonitrile

Drug info:

PubChemData

Smile

C/C=C(/C1=CC=CC=C1)\C(=C/C=C)\C2=CC3=C(C=C2)N(C4=C3C=NC=C4)C5=C(C=C(C=C5C#N)C6=CC=CC=C6C7=CC=CC(=C7)C8=CC=CC=C8)C#N

DOS

IR

Vibrations