Geometry & MOs

Info

ID:

381215

PubChem CID:

134971879

Reduced:

O3H15C17 (1)

Stoich.:

A3B15C17 (1)

Weight, g/mol:

404.071095

ΔHf, kcal/mol:

-47.76

Dipole, Da:

7.88

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.888503

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)[C@@H]2CC(=O)O[C@H]2C3=CC=C[CH]3

DOS

IR

Vibrations