Geometry & MOs

Info

ID:	413220
PubChem CID:	135086166
Reduced:	SiO2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	322.206167
ΔH_f, kcal/mol:	-37.66
Dipole, Da:	3.77
IP(EA), eV:	-8.81(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-trimethyl-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphonoylbenzene

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(C#C[Si](C)(C)C)(C2=CC=CC=C2)O

DOS

IR

Vibrations