Geometry & MOs

Info

ID:	384243
PubChem CID:	134976610
Reduced:	H7C8 (4)
Stoich.:	A7B8 (4)
Weight, g/mol:	269.067449
ΔH_f, kcal/mol:	182.26
Dipole, Da:	1.82
IP(EA), eV:	-8.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-3-methylsulfanylbicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)C#CC3=CC=CC=C3C#CC4=C(C=C(C=C4)C(C)(C)C)C#C2

DOS

IR

Vibrations