Geometry & MOs

Info

ID:	373628
PubChem CID:	131318062
Reduced:	BrFNO2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	294.96665
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	3.51
IP(EA), eV:	-9.71(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(bromomethyl)-2-(hydroxymethyl)-1-benzothiophen-6-yl]acetonitrile

Drug info:

PubChemData

Smile

C1CC1OC2=C(C=C(C=C2Br)F)C(C#N)O

DOS

IR

Vibrations