Geometry & MOs

Info

ID:	411394
PubChem CID:	135084217
Reduced:	NOS3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	231.98991
ΔH_f, kcal/mol:	-7.37
Dipole, Da:	2.96
IP(EA), eV:	-8.59(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-2-fluoroethyl)-3-methoxybenzene

Drug info:

PubChemData

Smile

C/C(=C(/C1SCCCS1)\C(=O)C2=CC=CS2)/N

DOS

IR

Vibrations