Geometry & MOs

Info

ID:

409509

PubChem CID:

135082291

Reduced:

BO3H18C21 (2)

Stoich.:

AB3C18D21 (2)

Weight, g/mol:

416.158375

ΔHf, kcal/mol:

-280.17

Dipole, Da:

2.15

IP(EA), eV:

 -8.74(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,16-dimethyl-13-phenoxy-12,14-dioxa-13-borapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

Drug info:

PubChemData

Smile

B1(OC2=CC=CC(=C2C3=C(C=CC=C3O1)C)C)OC4=CC=CC(=C4C5=C(C=CC=C5OB6OC7=CC=CC(=C7C8=C(C=CC=C8O6)C)C)C)C

DOS

IR

Vibrations