Geometry & MOs

Info

ID:	202581
PubChem CID:	79690647
Reduced:	ISN2O2H3C6 (1)
Stoich.:	ABC2D2E3F6 (1)
Weight, g/mol:	333.01868
ΔH_f, kcal/mol:	6.91
Dipole, Da:	3.09
IP(EA), eV:	-9.43(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromophenyl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine

Drug info:

PubChemData

Smile

C1=C(SC=C1C2=NNC(=O)O2)I

DOS

IR

Vibrations