Geometry & MOs

Info

ID:

400639

PubChem CID:

135048565

Reduced:

BOC18H30 (1)

Stoich.:

ABC18D30 (1)

Weight, g/mol:

165.992834

ΔHf, kcal/mol:

-25.75

Dipole, Da:

6.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.791522

Charge, e:

 0

Chem-info

IUPAC name:

lithium;1-chloro-4-(chloromethyl)benzene

Drug info:

PubChemData

Smile

[B-]1(C2CCCC1CCC2)(C3CCCCC3)C(=C=C)OC

DOS

IR

Vibrations