Geometry & MOs

Info

ID:	340971
PubChem CID:	127263406
Reduced:	BrN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	298.185258
ΔH_f, kcal/mol:	-59.03
Dipole, Da:	6.15
IP(EA), eV:	-9.06(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-3-carbonitrile

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=C(C=C(C=C2)N)Br

DOS

IR

Vibrations