Geometry & MOs

Info

ID:

402873

PubChem CID:

135057614

Reduced:

BClNO3C15H21 (1)

Stoich.:

ABCD3E15F21 (1)

Weight, g/mol:

353.07979

ΔHf, kcal/mol:

-226.07

Dipole, Da:

5.79

IP(EA), eV:

 -9.02(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[B-]12(C3=C(C(=C(C=C3)Cl)C)[NH+]=C(O1)C)OC(C(O2)(C)C)(C)C

DOS

IR

Vibrations