Geometry & MOs

Info

ID:

22030

PubChem CID:

595796

Reduced:

C8H9 (1)

Stoich.:

A8B9 (1)

Weight, g/mol:

105.070425

ΔHf, kcal/mol:

45.03

Dipole, Da:

1.5

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.901505

Charge, e:

 -5

Chem-info

IUPAC name:

1,2,3,4,5,6-hexahydropentalene-3a,4,5,6,6a-pentaide

Drug info:

PubChemData

Smile

C1C[C-]2[CH-][CH-][CH-][C-]2C1

DOS

IR

Vibrations