Geometry & MOs

Info

ID:	384515
PubChem CID:	134977138
Reduced:	SiO4C22H30 (1)
Stoich.:	AB4C22D30 (1)
Weight, g/mol:	265.092521
ΔH_f, kcal/mol:	166.27
Dipole, Da:	6.06
IP(EA), eV:	-7.44(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@H]1C#C/C=C\C#CC2CCC1=C([C@H]2C(=O)OC)OC

DOS

IR

Vibrations