Geometry & MOs

Info

ID:

324992

PubChem CID:

126679105

Reduced:

ON3H27C49 (1)

Stoich.:

AB3C27D49 (1)

Weight, g/mol:

498.173213

ΔHf, kcal/mol:

217.7

Dipole, Da:

3.56

IP(EA), eV:

 -8.08(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12,15-diphenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C42)C5=C(C=C3)C6=C(N5C7=CC8=C(C=C7)C9=C(C=C(C=C9)C#N)C1=CC=CC=C18)C=CC1=C6OC2=CC=CC=C12

DOS

IR

Vibrations