Geometry & MOs

Info

ID:

392032

PubChem CID:

135012066

Reduced:

O3C12H16 (2)

Stoich.:

A3B12C16 (2)

Weight, g/mol:

558.240624

ΔHf, kcal/mol:

-219.04

Dipole, Da:

3.12

IP(EA), eV:

 -9.19(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,6,27,30,41-pentaoxaundecacyclo[30.8.1.134,39.01,37.07,16.010,15.017,26.018,23.032,36.033,40.035,38]dotetraconta-7(16),8,10,12,14,17(26),18,20,22,24-decaene

Drug info:

PubChemData

Smile

C[C@@]1([C@](OC([C@@H](O1)COCC2=CC=CC=C2)COCC3=CC=CC=C3)(C)OC)OC

DOS

IR

Vibrations