Geometry & MOs

Info

ID:	400791
PubChem CID:	135049084
Reduced:	TiO5C16H33 (1)
Stoich.:	AB5C16D33 (1)
Weight, g/mol:	161.079795
ΔH_f, kcal/mol:	-226.42
Dipole, Da:	3.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.843899
Charge, e:	-1

Chem-info

IUPAC name:

fluoro-(3-methoxyprop-1-ynyl)-trimethylsilanuide

Drug info:

PubChemData

Smile

CCCCC=C=[CH-].CCOC(=O)O.CC(C)O.CC(C)O.[Ti]

DOS

IR

Vibrations