Geometry & MOs

Info

ID:	372805
PubChem CID:	131305091
Reduced:	ON2F5H5C7 (1)
Stoich.:	AB2C5D5E7 (1)
Weight, g/mol:	342.91395
ΔH_f, kcal/mol:	-264.88
Dipole, Da:	4.18
IP(EA), eV:	-9.23(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-7-(trifluoromethyl)-1-benzothiophen-5-amine

Drug info:

PubChemData

Smile

C1=C(C(=C(N=C1OC(F)(F)F)F)N)CF

DOS

IR

Vibrations