Geometry & MOs

Info

ID:	297148
PubChem CID:	117610510
Reduced:	FN4H35C51 (1)
Stoich.:	AB4C35D51 (1)
Weight, g/mol:	290.040402
ΔH_f, kcal/mol:	186.36
Dipole, Da:	5.15
IP(EA), eV:	-8.44(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dicyano-4-fluorophenyl)-2-fluorobenzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1N2C3=CC=CC=C3C4=CC5=C(C=C42)C(C6=CC=CC=C65)(C)C)C#N)F)C#N)N7C8=CC=CC=C8C9=CC1=C(C=C97)C(C2=CC=CC=C21)(C)C

DOS

IR

Vibrations