Geometry & MOs

Info

ID:

385399

PubChem CID:

134978961

Reduced:

BKO3C9H19 (1)

Stoich.:

ABC3D9E19 (1)

Weight, g/mol:

186.142725

ΔHf, kcal/mol:

-227.81

Dipole, Da:

2.99

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750000

Charge, e:

 -1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B-]1(OCCCO1)OC(C)(C)C(C)C.[K+]

DOS

IR

Vibrations