Geometry & MOs

Info

ID:	373198
PubChem CID:	131311392
Reduced:	N2C5H6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	287.92559
ΔH_f, kcal/mol:	59.59
Dipole, Da:	2.76
IP(EA), eV:	-8.82(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-7-fluoro-1-benzothiophene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C2CN(CC2=N1)C)C#N)N

DOS

IR

Vibrations