Geometry & MOs

Info

ID:	373392
PubChem CID:	131314517
Reduced:	N2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	226.009993
ΔH_f, kcal/mol:	-35.46
Dipole, Da:	6.51
IP(EA), eV:	-8.64(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-4-(hydroxymethyl)-1-benzothiophene-7-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC2=C(N1)C(=C(C=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations