Geometry & MOs

Info

ID:

51721

PubChem CID:

12014447

Reduced:

NO4H23C24 (2)

Stoich.:

AB4C23D24 (2)

Weight, g/mol:

764.336256

ΔHf, kcal/mol:

-212.75

Dipole, Da:

3.18

IP(EA), eV:

 -8.24(-2.53)

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;1H-indole

Drug info:

PubChemData

Smile

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.COC1=CC=C(C=C1)O.COC1=CC=C(C=C1)O

DOS

IR

Vibrations