Geometry & MOs

Info

ID:	373364
PubChem CID:	131314266
Reduced:	BrNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	279.02588
ΔH_f, kcal/mol:	-12.51
Dipole, Da:	4.38
IP(EA), eV:	-8.94(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethylpropanenitrile

Drug info:

PubChemData

Smile

CC(C#N)C1=CC(=CC2=C1OC(C2)(C)C)Br

DOS

IR

Vibrations