Geometry & MOs

Info

ID:	373188
PubChem CID:	131311273
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	335.91173
ΔH_f, kcal/mol:	2.08
Dipole, Da:	3.14
IP(EA), eV:	-8.31(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-fluoro-7-iodo-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1C(C2=C(N1)C=CC(=C2)O)CCC#N

DOS

IR

Vibrations