Geometry & MOs

Info

ID:

51720

PubChem CID:

12014446

Reduced:

NO3C26H27 (2)

Stoich.:

AB3C26D27 (2)

Weight, g/mol:

778.325416

ΔHf, kcal/mol:

-175.17

Dipole, Da:

2.45

IP(EA), eV:

 -8.88(-2.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,13-bis(2-tert-butylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;4-methoxyphenol

Drug info:

PubChemData

Smile

CCCC1=CC(=CC=C1)O.CCCC1=CC(=CC=C1)O.CC(C)(C)C1=CC=CC=C1N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)C6=CC=CC=C6C(C)(C)C)C2=O

DOS

IR

Vibrations