Geometry & MOs

Info

ID:

311273

PubChem CID:

126590123

Reduced:

ON3H33C46 (1)

Stoich.:

AB3C33D46 (1)

Weight, g/mol:

486.209599

ΔHf, kcal/mol:

176.79

Dipole, Da:

1.34

IP(EA), eV:

 -8.21(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-cyclohexa-1,3-dien-1-yl-14-phenyl-14,18-diazahexacyclo[13.11.0.02,7.08,13.017,25.019,24]hexacosa-1(15),2,4,6,8,10,12,16,19,21,23,25-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C=C(NC(N2)C3=CC=C(C=C3)N4C5=CC=CC=C5C6=C4C7=C(C=C6)C8=CC=CC=C8C9=CC=CC=C9O7)C1=CC=CC=C1

DOS

IR

Vibrations