Geometry & MOs

Info

ID:

403120

PubChem CID:

135058817

Reduced:

BNO2C22H24 (1)

Stoich.:

ABC2D22E24 (1)

Weight, g/mol:

361.206053

ΔHf, kcal/mol:

-111.01

Dipole, Da:

4.99

IP(EA), eV:

 -8.59(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4,4,4',5,5-pentamethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,2'-3-oxa-5-azonia-2-boranuidabicyclo[4.4.0]deca-1(6),4,7,9-tetraene]-9'-yl) 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C3=CC=CC=C3C=C2)C4=NC=CC(=C4)C

DOS

IR

Vibrations