Geometry & MOs

Info

ID:

324990

PubChem CID:

126679091

Reduced:

ON4H32C54 (1)

Stoich.:

AB4C32D54 (1)

Weight, g/mol:

498.173213

ΔHf, kcal/mol:

245.62

Dipole, Da:

2.64

IP(EA), eV:

 -7.99(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15,25-diphenyl-4-oxa-15,25-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C6=CC=CC=C6C7=C5C8=C(C=C7)N(C9=C8C=CC1=C9C2=CC=CC=C2O1)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations