Geometry & MOs

Info

ID:	199292
PubChem CID:	79226791
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	283.139471
ΔH_f, kcal/mol:	-57.0
Dipole, Da:	2.08
IP(EA), eV:	-8.68(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-3-yl)-2-phenylbutan-2-amine

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2S1)CN3CC(=O)NCC3=O

DOS

IR

Vibrations