Geometry & MOs

Info

ID:	341250
PubChem CID:	127263685
Reduced:	BO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	257.122323
ΔH_f, kcal/mol:	-193.8
Dipole, Da:	4.95
IP(EA), eV:	-9.4(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C=O)CC

DOS

IR

Vibrations