Geometry & MOs

Info

ID:

324530

PubChem CID:

126677844

Reduced:

ON4H30C46 (1)

Stoich.:

AB4C30D46 (1)

Weight, g/mol:

498.173213

ΔHf, kcal/mol:

203.37

Dipole, Da:

4.64

IP(EA), eV:

 -8.02(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,15-diphenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C=C(NC(=N2)N3C4=CC=CC=C4C5=CC6=C(C=C53)N(C7=C6C8=C(C=C7)OC9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations