Geometry & MOs

Info

ID:

381213

PubChem CID:

134971877

Reduced:

O3H13C16 (1)

Stoich.:

A3B13C16 (1)

Weight, g/mol:

388.07618

ΔHf, kcal/mol:

-37.58

Dipole, Da:

6.37

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.878711

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](OC1=O)C2=C[CH]C=C2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations