Geometry & MOs

Info

ID:	375376
PubChem CID:	131500136
Reduced:	ON4C9H12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	282.94666
ΔH_f, kcal/mol:	47.23
Dipole, Da:	4.37
IP(EA), eV:	-9.25(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(bromomethyl)-5-fluoro-1-benzothiophen-4-yl]acetonitrile

Drug info:

PubChemData

Smile

C1CNCC1CC2=NOC(=N2)CC#N

DOS

IR

Vibrations