Geometry & MOs

Info

ID:	168908
PubChem CID:	75040794
Reduced:	FON2H15C18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	332.217157
ΔH_f, kcal/mol:	8.33
Dipole, Da:	5.79
IP(EA), eV:	-9.08(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexylidene]ethenyl acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CC(=NC2C#N)C3=CC=C(C=C3)F

DOS

IR

Vibrations