Geometry & MOs

Info

ID:	407963
PubChem CID:	135080718
Reduced:	OC3H4 (3)
Stoich.:	AB3C4 (3)
Weight, g/mol:	254.089599
ΔH_f, kcal/mol:	-93.46
Dipole, Da:	2.67
IP(EA), eV:	-8.88(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-[(E)-2-chloro-2-ethylsulfanylethenyl]benzene

Drug info:

PubChemData

Smile

CO/C=C\[C@@H]1CC(=CC1=O)OC

DOS

IR

Vibrations