Geometry & MOs

Info

ID:	403035
PubChem CID:	135058462
Reduced:	BrNO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	272.169608
ΔH_f, kcal/mol:	-58.24
Dipole, Da:	6.75
IP(EA), eV:	-8.97(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylamino)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CN(C2=C1C=C(C=C2)Br)C

DOS

IR

Vibrations