Geometry & MOs

Info

ID:	221969
PubChem CID:	85293050
Reduced:	BrClSiO2C18H30 (1)
Stoich.:	ABCD2E18F30 (1)
Weight, g/mol:	425.27464
ΔH_f, kcal/mol:	-128.04
Dipole, Da:	1.94
IP(EA), eV:	-9.12(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethenolate;propan-2-ol;titanium

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)C#CC=CCC1C(CC(C(O1)CCO)Br)Cl

DOS

IR

Vibrations