Geometry & MOs

Info

ID:

409609

PubChem CID:

135082391

Reduced:

OC9H11 (1)

Stoich.:

AB9C11 (1)

Weight, g/mol:

561.446027

ΔHf, kcal/mol:

4.29

Dipole, Da:

2.22

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.872972

Charge, e:

 -3

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC(OC1)[C]2[CH][CH][CH][CH]2

DOS

IR

Vibrations