Geometry & MOs

Info

ID:	249268
PubChem CID:	103088202
Reduced:	FNSC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	237.155121
ΔH_f, kcal/mol:	-43.86
Dipole, Da:	2.22
IP(EA), eV:	-8.57(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-methylphenyl)ethyl]-4-methylsulfanylbutan-1-amine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)F)NCCCCSC

DOS

IR

Vibrations