Geometry & MOs

Info

ID:	375261
PubChem CID:	131485249
Reduced:	BrNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	266.98949
ΔH_f, kcal/mol:	-25.28
Dipole, Da:	3.85
IP(EA), eV:	-9.26(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromo-1,3-benzodioxol-4-yl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

C1CC(C1)(C#N)C2=C(C(=C(C=C2)Br)O)O

DOS

IR

Vibrations