Geometry & MOs

Info

ID:	397181
PubChem CID:	135029853
Reduced:	SiO3C18H22 (1)
Stoich.:	AB3C18D22 (1)
Weight, g/mol:	324.154557
ΔH_f, kcal/mol:	-94.13
Dipole, Da:	5.06
IP(EA), eV:	-9.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,6S)-1,6-dimethyl-4-(2-trimethylsilylethynyl)-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C[Si](C)(C)C#CC1=C(C[C@H]([C@H](C1)O)O)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations