Geometry & MOs

Info

ID:	340975
PubChem CID:	127263410
Reduced:	BrClSH2N2C6 (1)
Stoich.:	ABCD2E2F6 (1)
Weight, g/mol:	296.169608
ΔH_f, kcal/mol:	78.47
Dipole, Da:	4.28
IP(EA), eV:	-9.68(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(SC2=CN=NC(=C21)Cl)Br

DOS

IR

Vibrations