Geometry & MOs

Info

ID:

219023

PubChem CID:

85090379

Reduced:

O8C31H40 (1)

Stoich.:

A8B31C40 (1)

Weight, g/mol:

540.283552

ΔHf, kcal/mol:

-350.56

Dipole, Da:

8.29

IP(EA), eV:

 -9.58(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-(azetidin-1-yl)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,9,20,22-tetrone

Drug info:

PubChemData

Smile

CC1CC2(C(C1OC(=O)C)C=C(C(CC(C(CC=C(C2=O)C)(C)C)OC(=O)C)OC(=O)C3=CC=CC=C3)C)O

DOS

IR

Vibrations