Geometry & MOs

Info

ID:	374534
PubChem CID:	131331122
Reduced:	N4C9H10 (1)
Stoich.:	A4B9C10 (1)
Weight, g/mol:	226.009993
ΔH_f, kcal/mol:	58.76
Dipole, Da:	2.59
IP(EA), eV:	-8.54(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-fluoro-5-hydroxy-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)C2=CC=CN2)N

DOS

IR

Vibrations