Geometry & MOs

Info

ID:

400419

PubChem CID:

135047859

Reduced:

O2C18H23 (1)

Stoich.:

A2B18C23 (1)

Weight, g/mol:

353.998502

ΔHf, kcal/mol:

-44.15

Dipole, Da:

3.5

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.218826

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC=CC(=O)[C](/C=C/C1=CC=CC=C1)C(C)(C)C

DOS

IR

Vibrations