Geometry & MOs

Info

ID:

311225

PubChem CID:

126589960

Reduced:

ON4H32C45 (1)

Stoich.:

AB4C32D45 (1)

Weight, g/mol:

548.225249

ΔHf, kcal/mol:

182.51

Dipole, Da:

4.59

IP(EA), eV:

 -8.39(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(4-methylphenyl)-30-phenyl-14,30-diazaheptacyclo[15.13.0.03,15.04,13.05,10.018,23.024,29]triaconta-1(17),2,4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)N5C6=CC=CC=C6C7=CC8=C(C=C75)OC9=CC=CC=C9C1=CC=CC=C18

DOS

IR

Vibrations