Geometry & MOs

Info

ID:

408939

PubChem CID:

135081711

Reduced:

OC9H9 (1)

Stoich.:

AB9C9 (1)

Weight, g/mol:

246.084453

ΔHf, kcal/mol:

18.47

Dipole, Da:

1.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.918246

Charge, e:

 1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C=C[CH]OC1=CC=CC=C1

DOS

IR

Vibrations