Geometry & MOs

Info

ID:	397425
PubChem CID:	135030201
Reduced:	OSiC20H22 (1)
Stoich.:	ABC20D22 (1)
Weight, g/mol:	336.154557
ΔH_f, kcal/mol:	42.64
Dipole, Da:	2.81
IP(EA), eV:	-9.09(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-methoxy-3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]octa-2,5-dienyl]-phenylmethanone

Drug info:

PubChemData

Smile

C[Si](C)(C)C#CC1=C(C2CCC1C=C2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations