Geometry & MOs

Info

ID:	226760
PubChem CID:	87558160
Reduced:	SiZrCl2F2H42C50 (1)
Stoich.:	ABC2D2E42F50 (1)
Weight, g/mol:	160.133754
ΔH_f, kcal/mol:	169.05
Dipole, Da:	4.18
IP(EA), eV:	-7.43(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-acetyloxypropyl(trimethyl)azanium

Drug info:

PubChemData

Smile

CCC1=[C-]C2=CC=CC=C(C2=C1)C3=C(C=CC=C3F)C4=CC=CC=C4.CCC1=[C-]C2=CC=CC=C(C2=C1)C3=C(C=CC=C3F)C4=CC=CC=C4.C[Si](=[Zr+2])C.[Cl-].[Cl-]

DOS

IR

Vibrations