Geometry & MOs

Info

ID:	340972
PubChem CID:	127263407
Reduced:	BN2O2C17H23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	298.185258
ΔH_f, kcal/mol:	-124.1
Dipole, Da:	5.35
IP(EA), eV:	-8.26(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N3CCC(C3)C#N

DOS

IR

Vibrations