Geometry & MOs

Info

ID:	249294
PubChem CID:	103088379
Reduced:	BrFNSC11H15 (1)
Stoich.:	ABCDE11F15 (1)
Weight, g/mol:	249.17625
ΔH_f, kcal/mol:	-32.25
Dipole, Da:	5.96
IP(EA), eV:	-8.58(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyethoxy)-N-(4-methylsulfanylbutyl)butan-1-amine

Drug info:

PubChemData

Smile

CSCCCCNC1=CC(=C(C=C1)F)Br

DOS

IR

Vibrations