Geometry & MOs

Info

ID:	403696
PubChem CID:	135061376
Reduced:	ClON3H10C14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	246.142725
ΔH_f, kcal/mol:	85.93
Dipole, Da:	2.86
IP(EA), eV:	-9.15(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,5,5-tetramethyl-2-[4-(oxiran-2-yl)phenyl]-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC3=C(NC(=C3N=O)Cl)N=C2

DOS

IR

Vibrations