Geometry & MOs

Info

ID:	249307
PubChem CID:	103088469
Reduced:	FNSC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	244.19732
ΔH_f, kcal/mol:	-41.74
Dipole, Da:	2.8
IP(EA), eV:	-8.54(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-methylpiperidin-4-yl)ethyl]-4-methylsulfanylbutan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)NCCCCSC

DOS

IR

Vibrations