Geometry & MOs

Info

ID:	375287
PubChem CID:	131485312
Reduced:	FNOSH8C11 (1)
Stoich.:	ABCDE8F11 (1)
Weight, g/mol:	221.031063
ΔH_f, kcal/mol:	-26.08
Dipole, Da:	4.73
IP(EA), eV:	-9.09(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-fluoro-5-(hydroxymethyl)-1-benzothiophen-7-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=C(C(=C2)CO)CC#N)F

DOS

IR

Vibrations