Geometry & MOs

Info

ID:	249449
PubChem CID:	103089508
Reduced:	SN2C11H26 (1)
Stoich.:	AB2C11D26 (1)
Weight, g/mol:	258.21297
ΔH_f, kcal/mol:	-25.86
Dipole, Da:	3.44
IP(EA), eV:	-8.43(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-N-(piperidin-4-ylmethyl)-N-propylbutan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CN)CN(C)CCCCSC

DOS

IR

Vibrations