Geometry & MOs

Info

ID:	414094
PubChem CID:	135087048
Reduced:	LiSiN2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	226.135765
ΔH_f, kcal/mol:	4.05
Dipole, Da:	5.05
IP(EA), eV:	-7.5(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-phenylethynyl)oct-3-en-2-one

Drug info:

PubChemData

Smile

[Li+].C[Si](C)(C)[N-]NC1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations