Geometry & MOs

Info

ID:

395639

PubChem CID:

135026070

Reduced:

O7C19H23 (1)

Stoich.:

A7B19C23 (1)

Weight, g/mol:

233.117769

ΔHf, kcal/mol:

-260.21

Dipole, Da:

6.18

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.890678

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)OC1C[C@@H](C(=[O+]CC[C@H](C(=O)C2=CC=C(C=C2)OC)O)C=C1)O

DOS

IR

Vibrations