Geometry & MOs

Info

ID:

399266

PubChem CID:

135039247

Reduced:

O2H13C14 (1)

Stoich.:

A2B13C14 (1)

Weight, g/mol:

232.109944

ΔHf, kcal/mol:

1.53

Dipole, Da:

1.44

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.901656

Charge, e:

 0

Chem-info

IUPAC name:

6-(1-methoxyethenyl)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol

Drug info:

PubChemData

Smile

C1COC(O1)(C2=C[CH-]C=C2)C3=CC=CC=C3

DOS

IR

Vibrations