Geometry & MOs

Info

ID:	402876
PubChem CID:	135057626
Reduced:	ON3H13C20 (1)
Stoich.:	AB3C13D20 (1)
Weight, g/mol:	352.07196
ΔH_f, kcal/mol:	124.58
Dipole, Da:	3.58
IP(EA), eV:	-9.33(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

8'-bromo-4,4,4',5,5,9'-hexamethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,2'-3-oxa-5-aza-2-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene]

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations