Geometry & MOs

Info

ID:	414190
PubChem CID:	135087146
Reduced:	O6C15H20 (1)
Stoich.:	A6B15C20 (1)
Weight, g/mol:	356.099934
ΔH_f, kcal/mol:	-199.19
Dipole, Da:	4.08
IP(EA), eV:	-10.3(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)-1-phenyl-3-trimethylsilylprop-2-ynyl] acetate

Drug info:

PubChemData

Smile

COC(=O)C(CCC#CCO)(CCC#CCO)C(=O)OC

DOS

IR

Vibrations