Geometry & MOs

Info

ID:	375288
PubChem CID:	131485317
Reduced:	FNOSH8C11 (1)
Stoich.:	ABCDE8F11 (1)
Weight, g/mol:	221.031063
ΔH_f, kcal/mol:	-26.56
Dipole, Da:	4.31
IP(EA), eV:	-9.05(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-fluoro-6-(hydroxymethyl)-1-benzothiophen-2-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=C(C=C2CC#N)CO)F

DOS

IR

Vibrations