Geometry & MOs

Info

ID:

381212

PubChem CID:

134971875

Reduced:

O6H19C20 (1)

Stoich.:

A6B19C20 (1)

Weight, g/mol:

253.086469

ΔHf, kcal/mol:

-171.92

Dipole, Da:

1.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.879075

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(OC(=O)C(C(=O)O1)[C@H]([C@H](C2=C[CH]C=C2)O)C(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations