Geometry & MOs

Info

ID:	401036
PubChem CID:	135049833
Reduced:	NPWSi2F3O5C20H23 (1)
Stoich.:	ABCD2E3F5G20H23 (1)
Weight, g/mol:	593.905769
ΔH_f, kcal/mol:	-491.05
Dipole, Da:	7.25
IP(EA), eV:	-7.62(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,12-dichloro-1,1,2,2,3,3,4,4,5,5,8,8,9,9,10,10,11,11,12,12-icosafluorododec-6-yne

Drug info:

PubChemData

Smile

C[Si](C)(C)C([Si](C)(C)C)[P@]1C(=N1)C2=CC=C(C=C2)C(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]

DOS

IR

Vibrations