Geometry & MOs

Info

ID:

298455

PubChem CID:

117649909

Reduced:

O5C22H22 (2)

Stoich.:

A5B22C22 (2)

Weight, g/mol:

510.225368

ΔHf, kcal/mol:

-207.37

Dipole, Da:

2.8

IP(EA), eV:

 -8.47(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethoxy)phenyl] 4-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethoxy)benzoate

Drug info:

PubChemData

Smile

CC1C2=C(C=CC(=C2)OC(=O)C3=CC=C(C=C3)OCOCC4CCC5C(C4)O5)C6=C1C=C(C=C6)OC(=O)C7=CC=C(C=C7)OCOCC8CCC9C(C8)O9

DOS

IR

Vibrations