Geometry & MOs

Info

ID:	375463
PubChem CID:	131529824
Reduced:	BrNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	277.01023
ΔH_f, kcal/mol:	4.11
Dipole, Da:	3.91
IP(EA), eV:	-9.07(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-1-benzofuran-2-yl)-2,2-dimethylpropanenitrile

Drug info:

PubChemData

Smile

C1CC(C2=C(C=CC(=C2)Br)OC1)N=O

DOS

IR

Vibrations