Geometry & MOs

Info

ID:

52530

PubChem CID:

12015426

Reduced:

NO2C18H21 (1)

Stoich.:

AB2C18D21 (1)

Weight, g/mol:

728.242356

ΔHf, kcal/mol:

-25.17

Dipole, Da:

5.32

IP(EA), eV:

 -8.13(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z,8E,14Z,20E)-11,23,26,28-tetraphenyl-11,23,26,28-tetrazaheptacyclo[20.2.2.210,13.02,21.03,8.09,14.015,20]octacosa-2,4,6,8,14,16,18,20-octaene-12,24,25,27-tetrone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(CC=C)NC2=CC=CC=C2)OC

DOS

IR

Vibrations