Geometry & MOs

Info

ID:

80800

PubChem CID:

49845857

Reduced:

O4C17H17 (1)

Stoich.:

A4B17C17 (1)

Weight, g/mol:

504.10276

ΔHf, kcal/mol:

-102.51

Dipole, Da:

1.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.866279

Charge, e:

 1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1C(=O)OCCC[C]2[CH][CH][CH][CH]2

DOS

IR

Vibrations