Geometry & MOs

Info

ID:

400677

PubChem CID:

135048698

Reduced:

BBrO3C26H29 (1)

Stoich.:

ABC3D26E29 (1)

Weight, g/mol:

328.142642

ΔHf, kcal/mol:

-132.09

Dipole, Da:

2.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756202

Charge, e:

 1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B-]1(OC(C(O1)(C)C)(C)C)(CBr)OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations