Geometry & MOs

Info

ID:	374548
PubChem CID:	131331400
Reduced:	BrSN2C8H11 (1)
Stoich.:	ABC2D8E11 (1)
Weight, g/mol:	298.97796
ΔH_f, kcal/mol:	15.95
Dipole, Da:	4.09
IP(EA), eV:	-9.06(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethanamine

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=NC(=CS2)Br)N

DOS

IR

Vibrations