Geometry & MOs

Info

ID:	375285
PubChem CID:	131485310
Reduced:	BrIOF3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	221.031063
ΔH_f, kcal/mol:	-175.51
Dipole, Da:	2.11
IP(EA), eV:	-9.75(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-fluoro-6-(hydroxymethyl)-1-benzothiophen-3-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC(F)(F)F)CBr)I

DOS

IR

Vibrations