Geometry & MOs

Info

ID:	375289
PubChem CID:	131485318
Reduced:	FNOSH8C11 (1)
Stoich.:	ABCDE8F11 (1)
Weight, g/mol:	221.031063
ΔH_f, kcal/mol:	-29.32
Dipole, Da:	3.05
IP(EA), eV:	-9.15(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-fluoro-3-(hydroxymethyl)-1-benzothiophen-7-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1F)C=C(S2)CC#N)CO

DOS

IR

Vibrations