Geometry & MOs

Info

ID:	412114
PubChem CID:	135084988
Reduced:	FeNOSiC25H48 (1)
Stoich.:	ABCDE25F48 (1)
Weight, g/mol:	478.217401
ΔH_f, kcal/mol:	91.98
Dipole, Da:	2.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.623044
Charge, e:	0

Chem-info

IUPAC name:

[(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethoxy]-diphenylphosphane

Drug info:

PubChemData

Smile

[CH3-].[CH3-].CC.C[C-]1C(=C(C(=C1C)C)C)C.CC(C)(C)[Si](C)(C)OCC1=CC=CN1.[Fe+3]

DOS

IR

Vibrations