Geometry & MOs

Info

ID:

393847

PubChem CID:

135021817

Reduced:

NO2C14H21 (1)

Stoich.:

AB2C14D21 (1)

Weight, g/mol:

812.361408

ΔHf, kcal/mol:

-55.93

Dipole, Da:

4.61

IP(EA), eV:

 -10.27(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[2,6-di(propan-2-yl)phenyl]-6-[15-[2,6-di(propan-2-yl)phenyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-6-yl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione

Drug info:

PubChemData

Smile

CC(CCCC(C)(COC(=O)C=C)C=C)C#N

DOS

IR

Vibrations