Geometry & MOs

Info

ID:	249438
PubChem CID:	103089426
Reduced:	SN2C12H26 (1)
Stoich.:	AB2C12D26 (1)
Weight, g/mol:	256.19732
ΔH_f, kcal/mol:	-20.78
Dipole, Da:	3.3
IP(EA), eV:	-8.41(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(4-methylsulfanylbutyl)-8-azabicyclo[3.2.1]octan-3-amine

Drug info:

PubChemData

Smile

CNCC1CCCN(C1)CCCCSC

DOS

IR

Vibrations