Geometry & MOs

Info

ID:

52594

PubChem CID:

12015529

Reduced:

N3O4H39C41 (1)

Stoich.:

A3B4C39D41 (1)

Weight, g/mol:

718.304287

ΔHf, kcal/mol:

-79.85

Dipole, Da:

1.56

IP(EA), eV:

 -8.57(-2.34)

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;phenol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N.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