Geometry & MOs

Info

ID:	375072
PubChem CID:	131465432
Reduced:	BrNOSH8C11 (1)
Stoich.:	ABCDE8F11 (1)
Weight, g/mol:	280.951
ΔH_f, kcal/mol:	22.67
Dipole, Da:	3.81
IP(EA), eV:	-9.14(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-bromo-6-(hydroxymethyl)-1-benzothiophen-4-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=C(C=C2CO)Br)CC#N

DOS

IR

Vibrations