Geometry & MOs

Info

ID:	371620
PubChem CID:	131269104
Reduced:	BrO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	235.007883
ΔH_f, kcal/mol:	-109.8
Dipole, Da:	2.81
IP(EA), eV:	-10.22(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-6-(trifluoromethyl)-1-benzothiophen-7-amine

Drug info:

PubChemData

Smile

CCC(=O)C1=CC(=C(C=C1)CBr)C(=O)OC

DOS

IR

Vibrations