Geometry & MOs

Info

ID:	373363
PubChem CID:	131314223
Reduced:	BrNOSH6C11 (1)
Stoich.:	ABCDE6F11 (1)
Weight, g/mol:	279.02588
ΔH_f, kcal/mol:	44.52
Dipole, Da:	4.39
IP(EA), eV:	-9.31(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2,2-dimethyl-3H-1-benzofuran-7-yl)propanenitrile

Drug info:

PubChemData

Smile

C1=C(C(=CC2=C1C(=CS2)CBr)C#N)C=O

DOS

IR

Vibrations