Geometry & MOs

Info

ID:	45723
PubChem CID:	10517018
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	282.143992
ΔH_f, kcal/mol:	56.7
Dipole, Da:	5.79
IP(EA), eV:	-9.48(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-4-phenyl-2-trimethylsilylbut-1-en-3-ynyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CCO/C=N/C1=C(C=NN1CCCC2=CC=CC=C2)C#N

DOS

IR

Vibrations