Geometry & MOs

Info

ID:	384160
PubChem CID:	134976459
Reduced:	H9C10 (2)
Stoich.:	A9B10 (2)
Weight, g/mol:	283.083099
ΔH_f, kcal/mol:	101.17
Dipole, Da:	1.04
IP(EA), eV:	-8.56(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC#CCC2=CC=CC3=C2C(=CC=C3)CC#CC1

DOS

IR

Vibrations