Geometry & MOs

Info

ID:

402991

PubChem CID:

135058203

Reduced:

NB2O4C21H35 (1)

Stoich.:

AB2C4D21E35 (1)

Weight, g/mol:

308.122476

ΔHf, kcal/mol:

-329.18

Dipole, Da:

3.63

IP(EA), eV:

 -8.21(0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

8'-chloro-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

B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)B3OC(C(O3)(C)C)(C)C)CN(C)C

DOS

IR

Vibrations