Geometry & MOs

Info

ID:	389075
PubChem CID:	134991078
Reduced:	FeNPdSiF3O3C25H35 (1)
Stoich.:	ABCDE3F3G25H35 (1)
Weight, g/mol:	486.474515
ΔH_f, kcal/mol:	-73.15
Dipole, Da:	2.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.224782
Charge, e:	0

Chem-info

IUPAC name:

tris[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methyl]alumane

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)[C]1[CH][CH][C-][C]1C2=N[C@H](CO2)C(C)(C)C.[CH]1[CH][CH][CH][CH]1.C(=O)(C(F)(F)F)O.[Fe].[Pd]

DOS

IR

Vibrations