Geometry & MOs

Info

ID:	233010
PubChem CID:	87577958
Reduced:	BrSiO5C13H27 (1)
Stoich.:	ABC5D13E27 (1)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	-346.76
Dipole, Da:	5.53
IP(EA), eV:	-9.5(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,9-diazabicyclo[3.3.1]nonan-3-yl)hexanal

Drug info:

PubChemData

Smile

CCC(CC(C)(C(=O)O)Br)[Si](OCC)(OCC)OCC

DOS

IR

Vibrations