Geometry & MOs

Info

ID:	394558
PubChem CID:	135023227
Reduced:	SiO4C22H36 (2)
Stoich.:	AB4C22D36 (2)
Weight, g/mol:	278.206592
ΔH_f, kcal/mol:	-416.77
Dipole, Da:	3.6
IP(EA), eV:	-8.57(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R)-1-ethenyl-2-prop-2-ynylcyclohexyl]oxy-triethylsilane

Drug info:

PubChemData

Smile

CCC[C@@H](C[C@@H](C#CC([C@@H](C)[C@@H]([C@H](C)[C@H](/C=C/COCC1=CC=C(C=C1)OC)OCC2=CC=CC=C2)O[Si](C)(C)C)O)O[Si](C)(C)C(C)(C)C)OCOC

DOS

IR

Vibrations