Geometry & MOs

Info

ID:	25210
PubChem CID:	620966
Reduced:	S2N3H17C19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	258.232626
ΔH_f, kcal/mol:	87.98
Dipole, Da:	1.36
IP(EA), eV:	-8.34(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(9-borabicyclo[3.3.1]nonan-9-yloxy)-9-borabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C3=C(C1)SC(=N3)N=C(NC4=CC=CC=C4)S

DOS

IR

Vibrations