Geometry & MOs

Info

ID:	275375
PubChem CID:	103815559
Reduced:	BrClN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	260.155849
ΔH_f, kcal/mol:	13.24
Dipole, Da:	3.5
IP(EA), eV:	-8.84(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-propylsulfonylethyl)-3,9-diazabicyclo[4.2.1]nonane

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=C(C=CC(=C2)Br)Cl)CN

DOS

IR

Vibrations